General Information of the Compound
| Compound ID |
CP0549026
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| Compound Name |
3-bromo-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C16H9BrF3N3O2
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| Molecular Weight |
412.165
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| Canonical SMILES |
OC(=O)c1cc(Br)cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C16H9BrF3N3O2/c17-12-5-10(15(24)25)6-13(7-12)23-8-14(21-22-23)9-1-3-11(4-2-9)16(18,19)20/h1-8H,(H,24,25)
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| InChIKey |
LXDCBDIQUSNLHX-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