General Information of the Compound
| Compound ID |
CP0242048
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| Compound Name |
N-tert-butyl-4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]benzamide
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| Structure |
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| Formula |
C24H27ClN4O
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| Molecular Weight |
422.96
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| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C24H27ClN4O/c1-23(2,3)26-21(30)17-8-6-16(7-9-17)20-27-28-22(29(20)4)24(14-5-15-24)18-10-12-19(25)13-11-18/h6-13H,5,14-15H2,1-4H3,(H,26,30)
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| InChIKey |
KBPXVIBNWBHKIX-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