General Information of the Compound
| Compound ID |
CP0554524
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| Compound Name |
2-[[5-chloro-2-[4-[4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-8-oxooctyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C44H49ClN10O7
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| Molecular Weight |
865.392
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCCCCCCC(=O)Nc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)ncc1Cl
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| InChI |
InChI=1S/C44H49ClN10O7/c1-46-40(58)28-11-7-8-13-31(28)49-39-30(45)26-47-44(52-39)50-32-17-16-27(25-35(32)62-2)54-23-21-53(22-24-54)20-9-5-3-4-6-15-36(56)48-33-14-10-12-29-38(33)43(61)55(42(29)60)34-18-19-37(57)51-41(34)59/h7-8,10-14,16-17,25-26,34H,3-6,9,15,18-24H2,1-2H3,(H,46,58)(H,48,56)(H,51,57,59)(H2,47,49,50,52)
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| InChIKey |
ARFBEIAQWKBNSQ-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