HIT ID: HIT212671714
Cas No: 2138499-06-4
分子式: C27H32F2N8O
分子量: 522.605
常用名: Abemaciclib metabolite M20
氢键受体数 (HBA): 8
氢键供体数 (HBD): 2
LogP: 3.4834356
IUPAC: {6-[2-({5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}amino)-5-fluoropyrimidin-4-yl]-4-fluoro-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl}methanol
IUPAC: {6-[2-({5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}amino)-5-fluoropyrimidin-4-yl]-4-fluoro-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl}methanol
SMILES: CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(CO)n(C(C)C)c4c3)nc2)CC1
SMILES: CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(CO)n(C(C)C)c4c3)nc2)CC1
InChI key: KUJBDJBMXOTNIT-UHFFFAOYSA-N
