General Information of the Compound
| Compound ID |
CP0165994
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| Compound Name |
azetidin-1-yl-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]methanone
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| Structure |
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| Formula |
C23H23ClN4O
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| Molecular Weight |
406.917
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| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(=O)N1CCC1
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| InChI |
InChI=1S/C23H23ClN4O/c1-27-20(16-4-6-17(7-5-16)21(29)28-14-3-15-28)25-26-22(27)23(12-2-13-23)18-8-10-19(24)11-9-18/h4-11H,2-3,12-15H2,1H3
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| InChIKey |
OYMOQCSFDUOSAA-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