General Information of the Compound
| Compound ID |
CP0534662
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| Compound Name |
2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C19H18ClN3O2
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| Molecular Weight |
355.825
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| Canonical SMILES |
CC(C)(C(O)=O)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H18ClN3O2/c1-18(2,17(24)25)14-4-3-11-23-15(14)21-22-16(23)19(9-10-19)12-5-7-13(20)8-6-12/h3-8,11H,9-10H2,1-2H3,(H,24,25)
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| InChIKey |
GURWALQNMNHOKX-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