General Information of the Compound
| Compound ID |
CP0916700
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| Compound Name |
3-(7-chloro-1-methoxynaphthalen-2-yl)-4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole
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| Structure |
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| Formula |
C21H15ClF3N3O
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| Molecular Weight |
417.818
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| Canonical SMILES |
COc1c(-c2nnc(-c3ccccc3C(F)(F)F)n2C)ccc2ccc(Cl)cc12
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| InChI |
InChI=1S/C21H15ClF3N3O/c1-28-19(14-5-3-4-6-17(14)21(23,24)25)26-27-20(28)15-10-8-12-7-9-13(22)11-16(12)18(15)29-2/h3-11H,1-2H3
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| InChIKey |
QBIPYYXGZDQCLC-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1