General Information of the Compound
| Compound ID |
CP0572441
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| Compound Name |
2-[[5-chloro-2-[4-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C44H51ClN10O9
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| Molecular Weight |
899.406
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)ncc1Cl
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| InChI |
InChI=1S/C44H51ClN10O9/c1-46-40(57)29-6-3-4-8-32(29)49-39-31(45)27-48-44(52-39)50-33-11-10-28(26-36(33)61-2)54-17-15-53(16-18-54)19-21-63-23-25-64-24-22-62-20-14-47-34-9-5-7-30-38(34)43(60)55(42(30)59)35-12-13-37(56)51-41(35)58/h3-11,26-27,35,47H,12-25H2,1-2H3,(H,46,57)(H,51,56,58)(H2,48,49,50,52)
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| InChIKey |
YNVHWIFTYIGTMQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound