Ro-23-9424
HIT212713507
sdf文件结构编辑类似物检索
HIT ID: HIT212713507
Cas No: 115622-58-7
分子式: C31H31F3N8O8S2
分子量: 764.75
常用名: Ro-23-9424
氢键受体数 (HBA): 13
氢键供体数 (HBD): 3
LogP: -1.114651
IUPAC: (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carbonyloxy]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC: (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carbonyloxy]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES: CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(=O)c3cn(CCF)c4c(F)c(N5CCN(C)CC5)c(F)cc4c3=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:41|
SMILES: CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(=O)c3cn(CCF)c4c(F)c(N5CCN(C)CC5)c(F)cc4c3=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:41|
InChI key: IKYGJSBKPPIKJK-JDKVAZDPSA-N
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