Polθ-IN-7
HIT219250627
sdf文件结构编辑类似物检索
HIT ID: HIT219250627
Cas No: 2923356-52-7
分子式: C28H35F3N6O2
分子量: 544.623
常用名: Polθ-IN-7
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S,8R)-2,12-dimethyl-5-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-10-[2-(4-methylpiperazin-1-yl)ethyl]-2,5,10-triazatricyclo[9.4.0.0^{4,8}]pentadeca-1(11),12,14-triene-3,6-dione
IUPAC: (4S,8R)-2,12-dimethyl-5-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-10-[2-(4-methylpiperazin-1-yl)ethyl]-2,5,10-triazatricyclo[9.4.0.0^{4,8}]pentadeca-1(11),12,14-triene-3,6-dione
SMILES: [H][C@]12CC(=O)N(c3cc(cc(C)n3)C(F)(F)F)[C@]1([H])C(=O)N(C)c1cccc(C)c1N(CCN1CCN(C)CC1)C2
SMILES: [H][C@]12CC(=O)N(c3cc(cc(C)n3)C(F)(F)F)[C@]1([H])C(=O)N(C)c1cccc(C)c1N(CCN1CCN(C)CC1)C2
InChI key: JCATVBJYPBKEFM-IBVKSMDESA-N
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