CDK12-IN-7
HIT218849604
sdf文件结构编辑类似物检索
HIT ID: HIT218849604
Cas No: 3033863-94-1
分子式: C32H32F3N9O4
分子量: 663.662
常用名: CDK12-IN-7
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-benzyl-1-{10-methyl-11-oxo-1,6,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,12-pentaen-5-yl}-1-[(1r,4r)-4-{[4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino}cyclohexyl]urea
IUPAC: 3-benzyl-1-{10-methyl-11-oxo-1,6,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,12-pentaen-5-yl}-1-[(1r,4r)-4-{[4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino}cyclohexyl]urea
SMILES: Cn1c2nc3nc(ccc3n2ccc1=O)N([C@H]1CC[C@@H](CC1)Nc1ncc(c(OC2COC2)n1)C(F)(F)F)C(=O)NCc1ccccc1
SMILES: Cn1c2nc3nc(ccc3n2ccc1=O)N([C@H]1CC[C@@H](CC1)Nc1ncc(c(OC2COC2)n1)C(F)(F)F)C(=O)NCc1ccccc1
InChI key: KNQWUEWDMDIMIX-MEMLXQNLSA-N
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