Gw-870086
cyanomethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
Molecular Identity
Gw-870086
cyanomethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
PubChem CID: 11376392
2D Structure
Properties
C31H39F2NO6
Molecular Formula
559.60
Molecular Weight
g/mol
559.2745
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
114
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
1280
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)OCC#N)OC(=O)C5C(C5(C)C)(C)C)C)O)F)C)FIsomeric SMILES
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCC#N)OC(=O)C5C(C5(C)C)(C)C)C)O)F)C)FSynonyms(20)
GW-870086827319-43-7GW870086O891A2A3ZUGW870086XAndrosta-1,4-diene-17-carboxylic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(((2,2,3,3-tetramethylcyclopropyl)carbonyl)oxy)-, cyanomethyl ester, (6alpha,11beta,16alpha,17alpha)-cyanomethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylatecyanomethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxy-6,7,8,11,12,14,15,16-octahydrocyclopenta(a)phenanthrene-17-carboxylateRefChem:144821Cyanomethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-Difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-[(2,2,3,3-tetramethylcyclopropanecarbonyl)oxy]-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylateUNII-O891A2A3ZUocyclopenta[a]phenanthrene-17-carboxylateSCHEMBL524179orb1219520orb1308240
Data from PubChem (NCBI)
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