General Information of the Compound
| Compound ID |
CP0543415
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| Compound Name |
2-[[5-chloro-2-[4-[4-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-9-oxononyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C45H51ClN10O7
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| Molecular Weight |
879.419
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCCCCCCCC(=O)Nc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)ncc1Cl
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| InChI |
InChI=1S/C45H51ClN10O7/c1-47-41(59)29-12-8-9-14-32(29)50-40-31(46)27-48-45(53-40)51-33-18-17-28(26-36(33)63-2)55-24-22-54(23-25-55)21-10-6-4-3-5-7-16-37(57)49-34-15-11-13-30-39(34)44(62)56(43(30)61)35-19-20-38(58)52-42(35)60/h8-9,11-15,17-18,26-27,35H,3-7,10,16,19-25H2,1-2H3,(H,47,59)(H,49,57)(H,52,58,60)(H2,48,50,51,53)
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| InChIKey |
VNYWXAMJQYWVAE-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