JAK1-IN-11
HIT218851164
sdf文件结构编辑类似物检索
HIT ID: HIT218851164
Cas No: 2427608-43-1
分子式: C26H36N6O4S
分子量: 528.67
常用名: JAK1-IN-11
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]-N-[(1-{4-[(1R)-1-hydroxyethyl]-3,5,8,10-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,9,11-pentaen-3-yl}piperidin-4-yl)methyl]methanesulfonamide
IUPAC: 1-[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]-N-[(1-{4-[(1R)-1-hydroxyethyl]-3,5,8,10-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,9,11-pentaen-3-yl}piperidin-4-yl)methyl]methanesulfonamide
SMILES: [H][C@@]12CC[C@@](CS(=O)(=O)NCC3CCN(CC3)n3c(nc4c[nH]c5nccc5c34)[C@@H](C)O)(C(=O)C1)C2(C)C
SMILES: [H][C@@]12CC[C@@](CS(=O)(=O)NCC3CCN(CC3)n3c(nc4c[nH]c5nccc5c34)[C@@H](C)O)(C(=O)C1)C2(C)C
InChI key: CMZLROFEPZYUSV-LBISXTPBSA-N
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