General Information of the Compound
| Compound ID |
CP0384638
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| Compound Name |
1-[(3,4-dichlorophenyl)sulfonyl]-4-[4-fluoro-2-trifluoromethyl)phenyl]piperazine
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| Structure |
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| Formula |
C17H14Cl2F4N2O2S
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| Molecular Weight |
457.276
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| Canonical SMILES |
Fc1ccc(N2CCN(CC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H14Cl2F4N2O2S/c18-14-3-2-12(10-15(14)19)28(26,27)25-7-5-24(6-8-25)16-4-1-11(20)9-13(16)17(21,22)23/h1-4,9-10H,5-8H2
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| InChIKey |
SKIMIJDRZJUATF-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