General Information of the Compound
| Compound ID |
CP0206909
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| Compound Name |
N-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C24H21ClN4OS
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| Molecular Weight |
448.979
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| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2cccs2)cc1
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| InChI |
InChI=1S/C24H21ClN4OS/c1-29-21(16-5-11-19(12-6-16)26-22(30)20-4-2-15-31-20)27-28-23(29)24(13-3-14-24)17-7-9-18(25)10-8-17/h2,4-12,15H,3,13-14H2,1H3,(H,26,30)
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| InChIKey |
VHQQNMOPJCVPFS-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