Bms-986310
4-[4-cyano-2-[[(1'R,4S)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl]amino]phenyl]butanoic acid
Molecular Identity
Bms-986310
4-[4-cyano-2-[[(1'R,4S)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl]amino]phenyl]butanoic acid
PubChem CID: 121481566
2D Structure
Properties
C27H29N3O5
Molecular Formula
475.50
Molecular Weight
g/mol
475.2107
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
129
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
866
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)NC(=O)C1=CC2=C(C=C1)OCCC23CC3C(=O)NC4=C(C=CC(=C4)C#N)CCCC(=O)OIsomeric SMILES
SMILES: CC(C)NC(=O)C1=CC2=C(C=C1)OCC[C@]23C[C@H]3C(=O)NC4=C(C=CC(=C4)C#N)CCCC(=O)OSynonyms(20)
BMS-9863101965316-82-8ONO-4578VJ3OXN6K2HONO4578BMS986310RefChem:1080055EP4 Antagonist ONO-4578ONO 4578PGE2 Receptor Antagonist ONO-4578Prostaglandin E2 Receptor Antagonist ONO-4578Selective PGE2 Receptor 4 Antagonist ONO-4578EP4 receptor antagonist 24-(4-Cyano-2-((2'R,4S)-6-(isopropylcarbamoyl)spiro[chromane-4,1'-cyclopropane]-2'-carboxamido)phenyl)butanoic acidorb1686942
Data from PubChem (NCBI)
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Drug Network
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