General Information of the Compound
| Compound ID |
CP0567704
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| Compound Name |
2-[[5-chloro-2-[4-[4-[5-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-5-oxopentyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C43H48ClN11O7
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| Molecular Weight |
866.38
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCCCC(=O)NCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)ncc1Cl
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| InChI |
InChI=1S/C43H48ClN11O7/c1-45-39(58)27-8-3-4-10-30(27)49-38-29(44)25-48-43(52-38)50-31-14-13-26(24-34(31)62-2)54-22-20-53(21-23-54)19-6-5-12-35(56)47-18-17-46-32-11-7-9-28-37(32)42(61)55(41(28)60)33-15-16-36(57)51-40(33)59/h3-4,7-11,13-14,24-25,33,46H,5-6,12,15-23H2,1-2H3,(H,45,58)(H,47,56)(H,51,57,59)(H2,48,49,50,52)
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| InChIKey |
IARQSLYQQYNWOY-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