ASP2453
HIT214323224
sdf文件结构编辑类似物检索
HIT ID: HIT214323224
Cas No: 2241719-73-1
分子式: C40H48F3N7O4
分子量: 747.864
常用名: ASP2453
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[7-(6-cyclopropyl-2-{[1-(3-methoxypropyl)piperidin-4-yl]oxy}-7-(5-methyl-1H-indazol-4-yl)-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one
IUPAC: 1-[7-(6-cyclopropyl-2-{[1-(3-methoxypropyl)piperidin-4-yl]oxy}-7-(5-methyl-1H-indazol-4-yl)-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one
SMILES: COCCCN1CCC(CC1)Oc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(C3CC3)c(c(OCC(F)(F)F)c2n1)-c1c(C)ccc2[nH]ncc12
SMILES: COCCCN1CCC(CC1)Oc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(C3CC3)c(c(OCC(F)(F)F)c2n1)-c1c(C)ccc2[nH]ncc12
InChI key: VEXDXXFHISGELS-UHFFFAOYSA-N
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