General Information of the Compound
| Compound ID |
CP0569379
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| Compound Name |
N-[5-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]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 |
C46H49F3N8O10
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| Molecular Weight |
930.938
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(cc1)C(=O)NCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
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| InChI |
InChI=1S/C46H49F3N8O10/c1-55-15-17-56(18-16-55)36-10-9-30(25-35(36)53-42(61)32-27-52-39(59)26-33(32)46(47,48)49)28-5-7-29(8-6-28)41(60)51-14-20-66-22-24-67-23-21-65-19-13-50-34-4-2-3-31-40(34)45(64)57(44(31)63)37-11-12-38(58)54-43(37)62/h2-10,25-27,37,50H,11-24H2,1H3,(H,51,60)(H,52,59)(H,53,61)(H,54,58,62)
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| InChIKey |
MPVUSWCQRFACNA-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