General Information of the Compound
| Compound ID |
CP0407557
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| Compound Name |
[1-(4-propan-2-ylphenyl)triazol-4-yl]-[2-(trifluoromethyl)phenyl]methanone
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| Structure |
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| Formula |
C19H16F3N3O
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| Molecular Weight |
359.351
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| Canonical SMILES |
CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C19H16F3N3O/c1-12(2)13-7-9-14(10-8-13)25-11-17(23-24-25)18(26)15-5-3-4-6-16(15)19(20,21)22/h3-12H,1-2H3
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| InChIKey |
NHNPPAHOHUGRJU-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