General Information of the Compound
| Compound ID |
CP0479065
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| Compound Name |
3-(4-carbamoylphenyl)-5-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]benzoic acid
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| Structure |
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| Formula |
C23H15F3N4O4
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| Molecular Weight |
468.391
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| Canonical SMILES |
NC(=O)c1ccc(cc1)-c1cc(cc(c1)C(=O)Nc1nc2cc(ccc2[nH]1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C23H15F3N4O4/c24-23(25,26)16-5-6-17-18(10-16)29-22(28-17)30-20(32)14-7-13(8-15(9-14)21(33)34)11-1-3-12(4-2-11)19(27)31/h1-10H,(H2,27,31)(H,33,34)(H2,28,29,30,32)
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| InChIKey |
HHJSIMNCOUNGLG-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