WEE1-IN-3
HIT212661615
sdf文件结构编辑类似物检索
HIT ID: HIT212661615
Cas No: 2272976-28-8
分子式: C28H31N7O2
分子量: 497.603
常用名: WEE1-IN-3
氢键受体数 (HBA): 8
氢键供体数 (HBD): 2
LogP: 3.3806
IUPAC: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-({2'-methyl-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinolin]-7'-yl}amino)-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-3-one
IUPAC: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-({2'-methyl-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinolin]-7'-yl}amino)-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-3-one
SMILES: CN1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C2(CC2)C1
SMILES: CN1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C2(CC2)C1
InChI key: JSZFIXAMFNNRKS-UHFFFAOYSA-N
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