General Information of the Compound
| Compound ID |
CP0543539
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| Compound Name |
2-[[5-chloro-2-[4-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-7-oxoheptyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C45H52ClN11O7
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| Molecular Weight |
894.434
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCCCCCC(=O)NCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)ncc1Cl
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| InChI |
InChI=1S/C45H52ClN11O7/c1-47-41(60)29-10-6-7-12-32(29)51-40-31(46)27-50-45(54-40)52-33-16-15-28(26-36(33)64-2)56-24-22-55(23-25-56)21-8-4-3-5-14-37(58)49-20-19-48-34-13-9-11-30-39(34)44(63)57(43(30)62)35-17-18-38(59)53-42(35)61/h6-7,9-13,15-16,26-27,35,48H,3-5,8,14,17-25H2,1-2H3,(H,47,60)(H,49,58)(H,53,59,61)(H2,50,51,52,54)
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| InChIKey |
JTNFSYNINHXEOV-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