General Information of the Compound
| Compound ID |
CP0544047
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| Compound Name |
2-[[5-chloro-2-[4-[4-[8-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C46H54ClN11O7
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| Molecular Weight |
908.461
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCCCCCCCNC(=O)CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)ncc1Cl
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| InChI |
InChI=1S/C46H54ClN11O7/c1-48-42(61)30-12-7-8-14-33(30)52-41-32(47)27-51-46(55-41)53-34-17-16-29(26-37(34)65-2)57-24-22-56(23-25-57)21-10-6-4-3-5-9-20-49-39(60)28-50-35-15-11-13-31-40(35)45(64)58(44(31)63)36-18-19-38(59)54-43(36)62/h7-8,11-17,26-27,36,50H,3-6,9-10,18-25,28H2,1-2H3,(H,48,61)(H,49,60)(H,54,59,62)(H2,51,52,53,55)
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| InChIKey |
CNQCYQXBCOTDAQ-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