General Information of the Compound
| Compound ID |
CP0407127
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| Compound Name |
5-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-imidazole-4,5-dicarboxamide
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| Structure |
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| Formula |
C20H16F3N5O4
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| Molecular Weight |
447.373
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| Canonical SMILES |
COc1cc(NC(=O)c2[nH]cnc2C(N)=O)cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H16F3N5O4/c1-32-14-6-10(18(30)27-12-4-2-3-11(7-12)20(21,22)23)5-13(8-14)28-19(31)16-15(17(24)29)25-9-26-16/h2-9H,1H3,(H2,24,29)(H,25,26)(H,27,30)(H,28,31)
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| InChIKey |
GGZVCUKMAATQIX-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06172, Mothers against decapentaplegic homolog 3