Bivamelagon
N-[(3S,5S)-1-[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(4-methylcyclohexyl)propanamide
Molecular Identity
Bivamelagon
N-[(3S,5S)-1-[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(4-methylcyclohexyl)propanamide
PubChem CID: 165152355
2D Structure
Properties
C35H53ClN4O4
Molecular Formula
629.30
Molecular Weight
g/mol
628.3755
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
73.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: CC1CCC(CC1)N(C2CC(N(C2)C(=O)C3CN(CC3C4=CC=C(C=C4)Cl)C(C)(C)C)C(=O)N5CCOCC5)C(=O)C(C)CIsomeric SMILES
SMILES: CC1CCC(CC1)N([C@H]2C[C@H](N(C2)C(=O)[C@@H]3CN(C[C@H]3C4=CC=C(C=C4)Cl)C(C)(C)C)C(=O)N5CCOCC5)C(=O)C(C)CSynonyms(12)
Bivamelagon2641595-54-0bivamelagon [INN]NO1Y8WRA8Norb1944349SCHEMBL24580355SCHEMBL26661738DA-51212HY-153660CS-0834180T79090N-{(3S,5S)-1-[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(morpholine-4-carbonyl)pyrrolidin-3-yl}-2-methyl-N-[(1s,4s)-4-methylcyclohexyl]propanamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bivamelagon
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