QCA570
HIT212080513
sdf文件结构编辑类似物检索
HIT ID: HIT212080513
Cas No: 2207569-08-0
分子式: C39H33N7O4S
分子量: 695.8
常用名: QCA570
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 4.3981695
IUPAC: 3-(4-{5-[4-(2-{5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-4-yl}ethynyl)-1H-pyrazol-1-yl]pent-1-yn-1-yl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
IUPAC: 3-(4-{5-[4-(2-{5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-4-yl}ethynyl)-1H-pyrazol-1-yl]pent-1-yn-1-yl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
SMILES: Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(CCCC#Cc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)c1
SMILES: Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(CCCC#Cc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)c1
InChI key: RTVTYLRQKKDYMQ-UHFFFAOYSA-N
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