Gs-9256
[(1S,4S,6R,14S,18R)-18-[8-chloro-7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecan-4-yl]-[(2,6-difluorophenyl)methyl]phosphinic acid
Molecular Identity
Gs-9256
[(1S,4S,6R,14S,18R)-18-[8-chloro-7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecan-4-yl]-[(2,6-difluorophenyl)methyl]phosphinic acid
PubChem CID: 24823649
2D Structure
Properties
C46H56ClF2N6O8PS
Molecular Formula
957.50
Molecular Weight
g/mol
956.3275
Exact Mass
Da
8.5
XLogP
Above Lipinski threshold
210
TPSA
May have limited oral absorption
4
H-Bond Donors
14
H-Bond Acceptors
1700
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Cl)OC)C(=C2)OC4CC5C(=O)NC6(CC6CCCCCCCC(C(=O)N5C4)NC(=O)OC7CCCC7)P(=O)(CC8=C(C=CC=C8F)F)OIsomeric SMILES
SMILES: CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Cl)OC)C(=C2)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6CCCCCCC[C@@H](C(=O)N5C4)NC(=O)OC7CCCC7)P(=O)(CC8=C(C=CC=C8F)F)OSynonyms(20)
GS-92561001094-46-7GS 92568V42Y78HRUDTXSID70142946[(1S,4S,6R,14S,18R)-18-[8-Chloro-7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecan-4-yl]-[(2,6-difluorophenyl)methyl]phosphinic acid((1S,4S,6R,14S,18R)-18-(8-chloro-7-methoxy-2-(2-(propan-2-ylamino)-1,3-thiazol-4-yl)quinolin-4-yl)oxy-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-3,16-diazatricyclo(14.3.0.04,6)nonadecan-4-yl)-((2,6-difluorophenyl)methyl)phosphinic acidRefChem:144491DTXCID5065437GS9256UNII-8V42Y78HRU[[8-chloro-2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy-(cyclopentoxycarbonylamino)-dioxo-[?]yl]-[(2,6-difluorophenyl)methyl]phosphinic acidorb1737808SCHEMBL9987287CHEMBL1956820
Data from PubChem (NCBI)
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Drug Network
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