ATX inhibitor 8
HIT214433523
sdf文件结构编辑类似物检索
HIT ID: HIT214433523
Cas No: 2156656-37-8
分子式: C28H26N10O
分子量: 518.585
常用名: ATX inhibitor 8
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-(4-{2-[(2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl}-3-(pyridin-4-yl)-1H-pyrazol-1-yl)-1-{1H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-c]pyridin-5-yl}ethan-1-one
IUPAC: 2-(4-{2-[(2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl}-3-(pyridin-4-yl)-1H-pyrazol-1-yl)-1-{1H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-c]pyridin-5-yl}ethan-1-one
SMILES: O=C(Cn1cc(c(n1)-c1ccncc1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1
SMILES: O=C(Cn1cc(c(n1)-c1ccncc1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1
InChI key: BHQKFSUCBUOHOL-UHFFFAOYSA-N
共显示1个结果
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