General Information of the Compound
| Compound ID |
CP0438402
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| Compound Name |
3-Methyl-2-[3-(3-trifluoromethyl-phenyl)-ureido]-benzoic acid
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| Structure |
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| Formula |
C16H13F3N2O3
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| Molecular Weight |
338.285
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| Canonical SMILES |
Cc1cccc(C(O)=O)c1NC(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C16H13F3N2O3/c1-9-4-2-7-12(14(22)23)13(9)21-15(24)20-11-6-3-5-10(8-11)16(17,18)19/h2-8H,1H3,(H,22,23)(H2,20,21,24)
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| InChIKey |
QLBNFCUZJVANCX-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