General Information of the Compound
| Compound ID |
CP0142716
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| Compound Name |
5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-2,4-dimethoxypyrimidine
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| Structure |
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| Formula |
C25H24ClN5O2
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| Molecular Weight |
461.953
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| Canonical SMILES |
COc1ncc(-c2ccc(cc2)-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(OC)n1
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| InChI |
InChI=1S/C25H24ClN5O2/c1-31-21(29-30-23(31)25(13-4-14-25)18-9-11-19(26)12-10-18)17-7-5-16(6-8-17)20-15-27-24(33-3)28-22(20)32-2/h5-12,15H,4,13-14H2,1-3H3
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| InChIKey |
TYBKJRHHHDQHNG-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