(9R)-RO7185876
HIT219250812
sdf文件结构编辑类似物检索
HIT ID: HIT219250812
Cas No: 2226077-86-5
分子式: C25H28F3N7
分子量: 483.543
常用名: (9R)-RO7185876
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,5S,8R)-3-(6-methylpyrimidin-4-yl)-N-[(9R)-9-(2,3,4-trifluorophenyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[1,5-a]azepin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine
IUPAC: (1R,5S,8R)-3-(6-methylpyrimidin-4-yl)-N-[(9R)-9-(2,3,4-trifluorophenyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[1,5-a]azepin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine
SMILES: [H][C@]12CC[C@]([H])(CN(C1)c1cc(C)ncn1)[C@H]2Nc1nc2[C@H](CCCCn2n1)c1ccc(F)c(F)c1F
SMILES: [H][C@]12CC[C@]([H])(CN(C1)c1cc(C)ncn1)[C@H]2Nc1nc2[C@H](CCCCn2n1)c1ccc(F)c(F)c1F
InChI key: XGTZKVXMDSWEOE-CLMWXKPWSA-N
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