HIT ID: HIT218850291
Cas No: 3037967-71-5
分子式: C26H30N4O3
分子量: 446.551
常用名: IDH1 Inhibitor 9
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[6-(4-hydroxyphenyl)-2-(piperazin-1-yl)pyrimidin-4-yl]-5-methoxy-4-(3-methylbut-2-en-1-yl)phenol
IUPAC: 2-[6-(4-hydroxyphenyl)-2-(piperazin-1-yl)pyrimidin-4-yl]-5-methoxy-4-(3-methylbut-2-en-1-yl)phenol
SMILES: COc1cc(O)c(cc1CC=C(C)C)-c1cc(nc(n1)N1CCNCC1)-c1ccc(O)cc1
SMILES: COc1cc(O)c(cc1CC=C(C)C)-c1cc(nc(n1)N1CCNCC1)-c1ccc(O)cc1
InChI key: IWVDDNCSSVGRAH-UHFFFAOYSA-N