General Information of the Compound
| Compound ID |
CP0544195
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| Compound Name |
2-[[5-chloro-2-[4-[4-[10-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-10-oxodecyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C48H58ClN11O7
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| Molecular Weight |
936.515
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCCCCCCCCC(=O)NCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)ncc1Cl
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| InChI |
InChI=1S/C48H58ClN11O7/c1-50-44(63)32-13-9-10-15-35(32)54-43-34(49)30-53-48(57-43)55-36-19-18-31(29-39(36)67-2)59-27-25-58(26-28-59)24-11-7-5-3-4-6-8-17-40(61)52-23-22-51-37-16-12-14-33-42(37)47(66)60(46(33)65)38-20-21-41(62)56-45(38)64/h9-10,12-16,18-19,29-30,38,51H,3-8,11,17,20-28H2,1-2H3,(H,50,63)(H,52,61)(H,56,62,64)(H2,53,54,55,57)
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| InChIKey |
HWKKMOMWTNYCDX-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