HIT ID: HIT212670697
Cas No: 1643497-70-4
分子式: C26H33N9O3S
分子量: 551.67
常用名: EGFR-IN-2
氢键受体数 (HBA): 10
氢键供体数 (HBD): 2
LogP: 3.0776517
IUPAC: 2-(1-{1-[(2S)-butan-2-yl]-6-({2-[1-(cyclopropanesulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}amino)-1H-pyrazolo[4,3-c]pyridin-3-yl}azetidin-3-yl)propan-2-ol
IUPAC: 2-(1-{1-[(2S)-butan-2-yl]-6-({2-[1-(cyclopropanesulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}amino)-1H-pyrazolo[4,3-c]pyridin-3-yl}azetidin-3-yl)propan-2-ol
SMILES: CC[C@H](C)n1nc(N2CC(C2)C(C)(C)O)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12
SMILES: CC[C@H](C)n1nc(N2CC(C2)C(C)(C)O)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12
InChI key: RDWYRIOEHIKPRE-INIZCTEOSA-N
