General Information of the Compound
| Compound ID |
CP0559027
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| Compound Name |
3-(4-carbamoylphenyl)-5-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
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| Structure |
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| Formula |
C22H15F3N2O4
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| Molecular Weight |
428.366
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| Canonical SMILES |
NC(=O)c1ccc(cc1)-c1cc(cc(c1)C(=O)Nc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C22H15F3N2O4/c23-22(24,25)17-5-7-18(8-6-17)27-20(29)15-9-14(10-16(11-15)21(30)31)12-1-3-13(4-2-12)19(26)28/h1-11H,(H2,26,28)(H,27,29)(H,30,31)
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| InChIKey |
VZYVMIVSGKLRLJ-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