General Information of the Compound
| Compound ID |
CP0570419
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| Compound Name |
N-[5-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
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| Structure |
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| Formula |
C42H41F3N8O8
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| Molecular Weight |
842.832
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(cc1)C(=O)NCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
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| InChI |
InChI=1S/C42H41F3N8O8/c1-51-15-17-52(18-16-51)32-10-9-26(21-31(32)49-38(57)28-23-48-35(55)22-29(28)42(43,44)45)24-5-7-25(8-6-24)37(56)47-14-20-61-19-13-46-30-4-2-3-27-36(30)41(60)53(40(27)59)33-11-12-34(54)50-39(33)58/h2-10,21-23,33,46H,11-20H2,1H3,(H,47,56)(H,48,55)(H,49,57)(H,50,54,58)
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| InChIKey |
CCAKBASGLWLWPO-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