General Information of the Compound
| Compound ID |
CP0432819
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| Compound Name |
1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C17H13F7N2O3
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| Molecular Weight |
426.288
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| Canonical SMILES |
Fc1ccc(NC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1
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| InChI |
InChI=1S/C17H13F7N2O3/c18-10-1-3-11(4-2-10)25-15(27)26-12-5-13(28-8-16(19,20)21)7-14(6-12)29-9-17(22,23)24/h1-7H,8-9H2,(H2,25,26,27)
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| InChIKey |
FHLVPAUKSIYTGV-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3