HIT ID: HIT218848346
Cas No: 2945204-95-3
分子式: C20H23N5O
分子量: 349.438
常用名: JAK1-IN-12
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S,5S)-4-{[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino}adamantan-1-ol
IUPAC: (3S,5S)-4-{[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino}adamantan-1-ol
SMILES: [H][C@]12CC3C[C@@]([H])(CC(O)(C3)C1)[C@H]2Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
SMILES: [H][C@]12CC3C[C@@]([H])(CC(O)(C3)C1)[C@H]2Nc1c(cnc2[nH]ccc12)-c1cn[nH]c1
InChI key: GRNVQRLQIUHOOP-IZLAXFHPSA-N