General Information of the Compound
| Compound ID |
CP0434961
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| Compound Name |
3-[2,3-bis(trifluoromethyl)phenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
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| Structure |
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| Formula |
C18H10F9N3
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| Molecular Weight |
439.281
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| Canonical SMILES |
Cn1c(nnc1-c1cccc(c1C(F)(F)F)C(F)(F)F)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C18H10F9N3/c1-30-14(9-5-2-3-7-11(9)16(19,20)21)28-29-15(30)10-6-4-8-12(17(22,23)24)13(10)18(25,26)27/h2-8H,1H3
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| InChIKey |
FAKBYZUYUMQQBO-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