sGC activator 1
HIT218849557
sdf文件结构编辑类似物检索
HIT ID: HIT218849557
Cas No: 2101645-33-2
分子式: C27H22ClF5N6O3
分子量: 608.95
常用名: sGC activator 1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-{4-[(5S)-4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)-1H-indazol-3-yl]-5-methyl-6-oxo-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl}propanoic acid
IUPAC: 3-{4-[(5S)-4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)-1H-indazol-3-yl]-5-methyl-6-oxo-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl}propanoic acid
SMILES: C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(CCC(F)(F)C(F)(F)F)c2cc(Cl)ccc12)c1ccc(CCC(O)=O)cc1
SMILES: C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(CCC(F)(F)C(F)(F)F)c2cc(Cl)ccc12)c1ccc(CCC(O)=O)cc1
InChI key: BAFUFNSAYGCZIC-VWLOTQADSA-N
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