General Information of the Compound
| Compound ID |
CP0451729
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| Compound Name |
3-[[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzoyl]amino]benzoic acid
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| Structure |
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| Formula |
C23H14F6N2O4
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| Molecular Weight |
496.363
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| Canonical SMILES |
OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
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| InChI |
InChI=1S/C23H14F6N2O4/c24-22(25,26)14-8-13(9-15(11-14)23(27,28)29)19(32)31-18-7-2-1-6-17(18)20(33)30-16-5-3-4-12(10-16)21(34)35/h1-11H,(H,30,33)(H,31,32)(H,34,35)
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| InChIKey |
GNKPDTLLHLDJAY-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