General Information of the Compound
| Compound ID |
CP0543414
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| Compound Name |
2-[[5-chloro-2-[4-[4-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-oxoheptyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C43H47ClN10O7
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| Molecular Weight |
851.365
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCCCCCC(=O)Nc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)ncc1Cl
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| InChI |
InChI=1S/C43H47ClN10O7/c1-45-39(57)27-10-6-7-12-30(27)48-38-29(44)25-46-43(51-38)49-31-16-15-26(24-34(31)61-2)53-22-20-52(21-23-53)19-8-4-3-5-14-35(55)47-32-13-9-11-28-37(32)42(60)54(41(28)59)33-17-18-36(56)50-40(33)58/h6-7,9-13,15-16,24-25,33H,3-5,8,14,17-23H2,1-2H3,(H,45,57)(H,47,55)(H,50,56,58)(H2,46,48,49,51)
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| InChIKey |
IXMYXYXPHSRBPH-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