PF-4308515
(4bR,6R,7R,8aS)-4b-benzyl-6,7-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-10-oxo-7-phenyl-5,8,8a,9-tetrahydrophenanthrene-2-carboxamide
Molecular Identity
PF-4308515
(4bR,6R,7R,8aS)-4b-benzyl-6,7-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-10-oxo-7-phenyl-5,8,8a,9-tetrahydrophenanthrene-2-carboxamide
PubChem CID: 44610694
2D Structure
Properties
C35H34N2O4
Molecular Formula
546.70
Molecular Weight
g/mol
546.2519
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
99.5
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
960
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC=N1)NC(=O)C2=CC3=C(C=C2)C4(CC(C(CC4CC3=O)(C5=CC=CC=C5)O)(C)O)CC6=CC=CC=C6Isomeric SMILES
SMILES: CC1=C(C=CC=N1)NC(=O)C2=CC3=C(C=C2)[C@@]4(C[C@@]([C@@](C[C@H]4CC3=O)(C5=CC=CC=C5)O)(C)O)CC6=CC=CC=C6Synonyms(14)
PF-43085151206876-95-0UNII-S04A90872WPF-04308515S04A90872W2-Phenanthrenecarboxamide, 4b,5,6,7,8,8a,9,10-octahydro-6,7-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-10-oxo-7-phenyl-4b-(phenylmethyl)-, (4bR,6R,7R,8aS)-RefChem:172276(4bR,6R,7R,8aS)-4b-benzyl-6,7-dihydroxy-6-methyl-N-(2-methylpyridin-3-yl)-10-oxo-7-phenyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-2-carboxamideorb2814786SCHEMBL2060200SCHEMBL9967294GZOXYYZSDATUNP-WHQVQTAISA-NT202927Q27288381
Data from PubChem (NCBI)
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Drug Network
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