General Information of the Compound
| Compound ID |
CP0142717
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| Compound Name |
4-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)isoxazole
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| Structure |
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| Formula |
C22H19ClN4O
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| Molecular Weight |
390.874
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| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnoc1
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| InChI |
InChI=1S/C22H19ClN4O/c1-27-20(16-5-3-15(4-6-16)17-13-24-28-14-17)25-26-21(27)22(11-2-12-22)18-7-9-19(23)10-8-18/h3-10,13-14H,2,11-12H2,1H3
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| InChIKey |
JBFDRORHJJBVHA-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