General Information of the Compound
| Compound ID |
CP0242051
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| Compound Name |
4-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-3,5-dimethylisoxazole
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| Structure |
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| Formula |
C24H23ClN4O
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| Molecular Weight |
418.928
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(cc1)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H23ClN4O/c1-15-21(16(2)30-28-15)17-5-7-18(8-6-17)22-26-27-23(29(22)3)24(13-4-14-24)19-9-11-20(25)12-10-19/h5-12H,4,13-14H2,1-3H3
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| InChIKey |
ZDDWKCLVBKVFGA-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