General Information of the Compound
| Compound ID |
CP0576026
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| Compound Name |
3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-methylbutan-1-ol
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| Structure |
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| Formula |
C20H22ClN3O
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| Molecular Weight |
355.869
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| Canonical SMILES |
CC(C)(CCO)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H22ClN3O/c1-19(2,11-13-25)16-4-3-12-24-17(16)22-23-18(24)20(9-10-20)14-5-7-15(21)8-6-14/h3-8,12,25H,9-11,13H2,1-2H3
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| InChIKey |
AOCAWQPFJXXOHX-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