HIT ID: HIT219251298
Cas No:
分子式: C20H23FN6O2
分子量: 398.442
常用名: CDK8/19-IN-3
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-[(3S,5R)-3-{2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidin-4-yl}-5-methoxypiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
IUPAC: 4-[(3S,5R)-3-{2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidin-4-yl}-5-methoxypiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
SMILES: CO[C@@H]1C[C@@H](CN(C1)C(=O)c1c[nH]c(c1)C#N)c1ccnc(n1)N1CC[C@@H](F)C1
SMILES: CO[C@@H]1C[C@@H](CN(C1)C(=O)c1c[nH]c(c1)C#N)c1ccnc(n1)N1CC[C@@H](F)C1
InChI key: OVZHFGJRKASRRF-ZMSDIMECSA-N
