General Information of the Compound
| Compound ID |
CP0271293
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| Compound Name |
2-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)-5-(pyridin-3-yl)phenol
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| Structure |
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| Formula |
C24H21ClN4O
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| Molecular Weight |
416.912
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| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1O)-c1cccnc1
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| InChI |
InChI=1S/C24H21ClN4O/c1-29-22(20-10-5-16(14-21(20)30)17-4-2-13-26-15-17)27-28-23(29)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15,30H,3,11-12H2,1H3
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| InChIKey |
ZSTHUWVKZPCGCW-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