General Information of the Compound
| Compound ID |
CP0579320
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| Compound Name |
N-[5-[4-[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]phenyl]methylcarbamoyl]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 |
C46H41F3N8O7
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| Molecular Weight |
874.877
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(cc1)C(=O)NCc1ccc(CNc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)cc1
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| InChI |
InChI=1S/C46H41F3N8O7/c1-55-16-18-56(19-17-55)37-13-10-30(20-36(37)53-42(61)34-25-51-40(59)22-35(34)46(47,48)49)28-6-8-29(9-7-28)41(60)52-24-27-4-2-26(3-5-27)23-50-31-11-12-32-33(21-31)45(64)57(44(32)63)38-14-15-39(58)54-43(38)62/h2-13,20-22,25,38,50H,14-19,23-24H2,1H3,(H,51,59)(H,52,60)(H,53,61)(H,54,58,62)
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| InChIKey |
PXGLQUOVJRNPQL-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