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CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
What is the definition of this compound's USAN stem?
allosteric cardiac myosin modulators
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Does this compound satisfy the rule-of-three criteria?
No
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
How many hydrogen bond acceptors does this compound have?
4
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?
0
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Is it known whether this drug is administered parenterally?
No
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Is it known whether this drug is applied topically?
No
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Is this compound a small molecule polymer, such as polystyrene sulfonate?
No
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
What is the molecular formula of this compound, including any salt that it may have?
C15H19N3O2
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Is this molecule characterized by a small molecular structure or a protein sequence?
It has a small molecule structure.
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.
No
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.
Approved
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
What is the polar surface area (PSA) value of this compound?
66.89
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
How many aromatic rings does this compound have?
2
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?
No
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?
5
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Is there a black box warning associated with this drug?
Yes
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?
Yes
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?
No
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
How many hydrogen bond donors does this compound have?
2
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
What is the first recorded year of approval for this drug?
2022
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?
0
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
What is the calculated ALogP value for this compound?
2.29
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
How many heavy (non-hydrogen) atoms does this compound have?
20
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Is this compound an acid, a base, or neutral?
NEUTRAL
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Determine the type of availability for this drug.
prescription only
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Is it known whether this drug is taken orally?
Yes
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Is the drug administered in this specific form, such as a particular salt?
Yes
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Determine if this compound is a prodrug.
No
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Which USAN substem can this drug or clinical candidate name be matched with?
-camten
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
What is the molecular weight of this compound's parent molecule?
273.34
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?
2
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.
Small molecule
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Please provide a description of this drug's mechanism of action.
Cardiac myosin inhibitor
Cl.Cl.Cl.Cl.NCCNCCNCCN
How many aromatic rings does this compound have?
0
Cl.Cl.Cl.Cl.NCCNCCNCCN
How many rotatable bonds does this compound have?
7
Cl.Cl.Cl.Cl.NCCNCCNCCN
Does this compound satisfy the rule-of-three criteria?
No
Cl.Cl.Cl.Cl.NCCNCCNCCN
How many hydrogen bond acceptors does this compound have?
4
Cl.Cl.Cl.Cl.NCCNCCNCCN
Is it known whether this drug is administered parenterally?
No
Cl.Cl.Cl.Cl.NCCNCCNCCN
Is it known whether this drug is applied topically?
No
Cl.Cl.Cl.Cl.NCCNCCNCCN
What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.
Unknown
Cl.Cl.Cl.Cl.NCCNCCNCCN
Is this compound a small molecule polymer, such as polystyrene sulfonate?
No
Cl.Cl.Cl.Cl.NCCNCCNCCN
What is the molecular weight of this compound's parent molecule?
146.24
Cl.Cl.Cl.Cl.NCCNCCNCCN
What is the calculated ALogP value for this compound?
-1.92
Cl.Cl.Cl.Cl.NCCNCCNCCN
Is this molecule characterized by a small molecular structure or a protein sequence?
It has a small molecule structure.
Cl.Cl.Cl.Cl.NCCNCCNCCN
What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.
Approved
Cl.Cl.Cl.Cl.NCCNCCNCCN
Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?
No
Cl.Cl.Cl.Cl.NCCNCCNCCN
Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.
Unknown chirality
Cl.Cl.Cl.Cl.NCCNCCNCCN
Is there a black box warning associated with this drug?
No
Cl.Cl.Cl.Cl.NCCNCCNCCN
Determine the type of availability for this drug.
unknown
Cl.Cl.Cl.Cl.NCCNCCNCCN
Determine if this compound is a prodrug.
It is not a drug
Cl.Cl.Cl.Cl.NCCNCCNCCN
What is the molecular formula of this compound, including any salt that it may have?
C6H22Cl4N4
Cl.Cl.Cl.Cl.NCCNCCNCCN
How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?
6
Cl.Cl.Cl.Cl.NCCNCCNCCN
What is the polar surface area (PSA) value of this compound?
76.1
Cl.Cl.Cl.Cl.NCCNCCNCCN
Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?
No
Cl.Cl.Cl.Cl.NCCNCCNCCN
What is the first recorded year of approval for this drug?
2022
Cl.Cl.Cl.Cl.NCCNCCNCCN
How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?
0
Cl.Cl.Cl.Cl.NCCNCCNCCN
Is it known whether this drug is taken orally?
No
Cl.Cl.Cl.Cl.NCCNCCNCCN
Is this compound an acid, a base, or neutral?
BASE
Cl.Cl.Cl.Cl.NCCNCCNCCN
How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?
4
Cl.Cl.Cl.Cl.NCCNCCNCCN
Is the drug administered in this specific form, such as a particular salt?
Yes
Cl.Cl.Cl.Cl.NCCNCCNCCN
How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?
1
Cl.Cl.Cl.Cl.NCCNCCNCCN
Please provide a description of this drug's mechanism of action.
Copper chelating agent
Cl.Cl.Cl.Cl.NCCNCCNCCN
Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.
It is not a drug
Cl.Cl.Cl.Cl.NCCNCCNCCN
How many hydrogen bond donors does this compound have?
4
Cl.Cl.Cl.Cl.NCCNCCNCCN
Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?
It is not a drug
Cl.Cl.Cl.Cl.NCCNCCNCCN
How many heavy (non-hydrogen) atoms does this compound have?
10
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
How many rotatable bonds does this compound have?
4
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.
Single stereoisomer
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Does this compound satisfy the rule-of-three criteria?
No
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?
0
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Is it known whether this drug is administered parenterally?
No
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Is it known whether this drug is applied topically?
No
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?
1
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Please provide a description of this drug's mechanism of action.
Orexin receptor 1 antagonist
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Is this compound a small molecule polymer, such as polystyrene sulfonate?
No
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Is this molecule characterized by a small molecular structure or a protein sequence?
It has a small molecule structure.
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.
No
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.
Approved
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Is there a black box warning associated with this drug?
No
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?
No
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
What is the molecular weight of this compound's parent molecule?
450.93
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
How many hydrogen bond acceptors does this compound have?
6
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?
Yes
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?
8
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?
No
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
What is the first recorded year of approval for this drug?
2022
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?
0
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Please provide a description of this drug's mechanism of action.
Orexin receptor 2 antagonist
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Is this compound an acid, a base, or neutral?
NEUTRAL
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Determine the type of availability for this drug.
prescription only
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
What is the polar surface area (PSA) value of this compound?
88.93
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
How many aromatic rings does this compound have?
4
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
How many heavy (non-hydrogen) atoms does this compound have?
32
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Is it known whether this drug is taken orally?
Yes
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Is the drug administered in this specific form, such as a particular salt?
Yes
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
Determine if this compound is a prodrug.
No
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
What is the molecular formula of this compound, including any salt that it may have?
C23H24Cl2N6O2
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
What is the calculated ALogP value for this compound?
4.27
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
How many hydrogen bond donors does this compound have?
1
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.
Small molecule