General Information of the Compound
| Compound ID |
CP0434570
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| Compound Name |
4-methyl-3-(2-methylnaphthalen-1-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
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| Structure |
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| Formula |
C21H16F3N3
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| Molecular Weight |
367.374
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| Canonical SMILES |
Cc1ccc2ccccc2c1-c1nnc(-c2ccccc2C(F)(F)F)n1C
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| InChI |
InChI=1S/C21H16F3N3/c1-13-11-12-14-7-3-4-8-15(14)18(13)20-26-25-19(27(20)2)16-9-5-6-10-17(16)21(22,23)24/h3-12H,1-2H3
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| InChIKey |
VMCSHTAQJOUXFS-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