General Information of the Compound
| Compound ID |
CP0440548
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| Compound Name |
3-(3-chloronaphthalen-2-yl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
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| Structure |
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| Formula |
C20H13ClF3N3
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| Molecular Weight |
387.792
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| Canonical SMILES |
Cn1c(nnc1-c1cc2ccccc2cc1Cl)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C20H13ClF3N3/c1-27-18(14-8-4-5-9-16(14)20(22,23)24)25-26-19(27)15-10-12-6-2-3-7-13(12)11-17(15)21/h2-11H,1H3
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| InChIKey |
POYZNCSBPDZNDU-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1