General Information of the Compound
| Compound ID |
CP0423404
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| Compound Name |
1-[(3,4-dichlorophenyl)sulfonyl]-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
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| Structure |
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| Formula |
C16H14Cl2F3N3O2S
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| Molecular Weight |
440.274
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C16H14Cl2F3N3O2S/c17-13-4-3-11(10-14(13)18)27(25,26)24-8-6-23(7-9-24)15-12(16(19,20)21)2-1-5-22-15/h1-5,10H,6-9H2
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| InChIKey |
OUKOZYKSIXPDSS-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