General Information of the Compound
| Compound ID |
CP0544194
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| Compound Name |
2-[[5-chloro-2-[4-[4-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-10-oxodecyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C46H53ClN10O7
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| Molecular Weight |
893.446
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCCCCCCCCC(=O)Nc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)ncc1Cl
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| InChI |
InChI=1S/C46H53ClN10O7/c1-48-42(60)30-13-9-10-15-33(30)51-41-32(47)28-49-46(54-41)52-34-19-18-29(27-37(34)64-2)56-25-23-55(24-26-56)22-11-7-5-3-4-6-8-17-38(58)50-35-16-12-14-31-40(35)45(63)57(44(31)62)36-20-21-39(59)53-43(36)61/h9-10,12-16,18-19,27-28,36H,3-8,11,17,20-26H2,1-2H3,(H,48,60)(H,50,58)(H,53,59,61)(H2,49,51,52,54)
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| InChIKey |
GQQACFXEDGTPFK-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