General Information of the Compound
| Compound ID |
CP0458878
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| Compound Name |
3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
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| Structure |
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| Formula |
C16H10Cl2F3N3
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| Molecular Weight |
372.177
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| Canonical SMILES |
Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C16H10Cl2F3N3/c1-24-14(10-4-2-3-5-12(10)16(19,20)21)22-23-15(24)11-7-6-9(17)8-13(11)18/h2-8H,1H3
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| InChIKey |
MNSSEMZFKILJRI-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