MS4077
HIT212666131
sdf文件结构编辑类似物检索
HIT ID: HIT212666131
Cas No: 2230077-10-6
分子式: C55H72ClN9O13S
分子量: 1134.74
常用名: MS4077
氢键受体数 (HBA): 19
氢键供体数 (HBD): 5
LogP: 6.692
IUPAC: 2-(4-{4-[(5-chloro-4-{[2-(propane-2-sulfonyl)phenyl]amino}pyrimidin-2-yl)amino]-2-methyl-5-(propan-2-yloxy)phenyl}piperidin-1-yl)-N-(17-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}-3,6,9,12,15-pentaoxaheptadecan-1-yl)acetamide
IUPAC: 2-(4-{4-[(5-chloro-4-{[2-(propane-2-sulfonyl)phenyl]amino}pyrimidin-2-yl)amino]-2-methyl-5-(propan-2-yloxy)phenyl}piperidin-1-yl)-N-(17-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}-3,6,9,12,15-pentaoxaheptadecan-1-yl)acetamide
SMILES: CC(C)Oc1cc(C2CCN(CC(=O)NCCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
SMILES: CC(C)Oc1cc(C2CCN(CC(=O)NCCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
InChI key: VEKJQNCZEPLNJF-UHFFFAOYSA-N
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供应商规格单价货期纯度操作
TargetMol
SC
8730 购物车
Enamine
SC
待询3-5周点击询价
Mcule
SC
48114-5周 购物车
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