General Information of the Compound
| Compound ID |
CP0242053
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| Compound Name |
3-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)-3-methoxyphenyl)pyridine
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| Structure |
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| Formula |
C25H23ClN4O
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| Molecular Weight |
430.939
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| Canonical SMILES |
COc1cc(ccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1)-c1cccnc1
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| InChI |
InChI=1S/C25H23ClN4O/c1-30-23(21-11-6-17(15-22(21)31-2)18-5-3-14-27-16-18)28-29-24(30)25(12-4-13-25)19-7-9-20(26)10-8-19/h3,5-11,14-16H,4,12-13H2,1-2H3
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| InChIKey |
RBGKTPBXYABVOH-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