General Information of the Compound
| Compound ID |
CP0567495
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| Compound Name |
3-(4-bromophenyl)-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Formula |
C22H13BrF3N3O2
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| Molecular Weight |
488.263
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| Canonical SMILES |
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(Br)cc1
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| InChI |
InChI=1S/C22H13BrF3N3O2/c23-18-7-3-13(4-8-18)15-9-16(21(30)31)11-19(10-15)29-12-20(27-28-29)14-1-5-17(6-2-14)22(24,25)26/h1-12H,(H,30,31)
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| InChIKey |
LAOPQBHQNNSDKO-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