General Information of the Compound
| Compound ID |
CP0567592
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| Compound Name |
3-(4-carbamoylphenyl)-5-[[5-(trifluoromethyl)-1H-indol-2-yl]carbamoyl]benzoic acid
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| Structure |
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| Formula |
C24H16F3N3O4
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| Molecular Weight |
467.403
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| Canonical SMILES |
NC(=O)c1ccc(cc1)-c1cc(cc(c1)C(=O)Nc1cc2cc(ccc2[nH]1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C24H16F3N3O4/c25-24(26,27)18-5-6-19-15(10-18)11-20(29-19)30-22(32)16-7-14(8-17(9-16)23(33)34)12-1-3-13(4-2-12)21(28)31/h1-11,29H,(H2,28,31)(H,30,32)(H,33,34)
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| InChIKey |
OPAFKJGCBWKIKG-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