General Information of the Compound
| Compound ID |
CP0492263
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| Compound Name |
4-[2-(trifluoromethyl)phenyl]-2H-triazole
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| Structure |
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| Formula |
C9H6F3N3
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| Molecular Weight |
213.162
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| Canonical SMILES |
FC(F)(F)c1ccccc1-c1c[nH]nn1
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| InChI |
InChI=1S/C9H6F3N3/c10-9(11,12)7-4-2-1-3-6(7)8-5-13-15-14-8/h1-5H,(H,13,14,15)
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| InChIKey |
BRINNSJFBYJGQK-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
Protein ID: PT03388, Indoleamine 2,3-dioxygenase 1
Protein ID: PT05447, Tryptophan 2,3-dioxygenase