General Information of the Compound
| Compound ID |
CP0142705
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| Compound Name |
N-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-2,5-dimethylfuran-3-carboxamide
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| Structure |
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| Formula |
C26H25ClN4O2
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| Molecular Weight |
460.965
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| Canonical SMILES |
Cc1cc(C(=O)Nc2ccc(cc2)-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(C)o1
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| InChI |
InChI=1S/C26H25ClN4O2/c1-16-15-22(17(2)33-16)24(32)28-21-11-5-18(6-12-21)23-29-30-25(31(23)3)26(13-4-14-26)19-7-9-20(27)10-8-19/h5-12,15H,4,13-14H2,1-3H3,(H,28,32)
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| InChIKey |
CGWGMYIJFORQBT-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