General Information of the Compound
| Compound ID |
CP0544193
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| Compound Name |
2-[[5-chloro-2-[4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxohexyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C42H45ClN10O7
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| Molecular Weight |
837.338
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCCCCC(=O)Nc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)ncc1Cl
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| InChI |
InChI=1S/C42H45ClN10O7/c1-44-38(56)26-9-5-6-11-29(26)47-37-28(43)24-45-42(50-37)48-30-15-14-25(23-33(30)60-2)52-21-19-51(20-22-52)18-7-3-4-13-34(54)46-31-12-8-10-27-36(31)41(59)53(40(27)58)32-16-17-35(55)49-39(32)57/h5-6,8-12,14-15,23-24,32H,3-4,7,13,16-22H2,1-2H3,(H,44,56)(H,46,54)(H,49,55,57)(H2,45,47,48,50)
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| InChIKey |
YZOFBJYOJZUEKE-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