General Information of the Compound
| Compound ID |
CP0296286
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| Compound Name |
N-[3-chloro-4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
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| Structure |
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| Formula |
C21H20Cl2N4O
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| Molecular Weight |
415.324
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| Canonical SMILES |
CC(=O)Nc1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
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| InChI |
InChI=1S/C21H20Cl2N4O/c1-13(28)24-16-8-9-17(18(23)12-16)19-25-26-20(27(19)2)21(10-3-11-21)14-4-6-15(22)7-5-14/h4-9,12H,3,10-11H2,1-2H3,(H,24,28)
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| InChIKey |
VTGIWYUUZDTUEM-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1