HIT ID: HIT212668169
Cas No: 2366269-23-8
分子式: C27H31N7O2
分子量: 485.592
常用名: Palbociclib-propargyl
氢键受体数 (HBA): 8
氢键供体数 (HBD): 1
LogP: 3.401
IUPAC: 6-acetyl-8-cyclopentyl-5-methyl-2-({5-[4-(prop-2-yn-1-yl)piperazin-1-yl]pyridin-2-yl}amino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
IUPAC: 6-acetyl-8-cyclopentyl-5-methyl-2-({5-[4-(prop-2-yn-1-yl)piperazin-1-yl]pyridin-2-yl}amino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC#C)CC3)nc2n(C2CCCC2)c1=O
SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC#C)CC3)nc2n(C2CCCC2)c1=O
InChI key: SLFZXPQZLOODKL-UHFFFAOYSA-N
