General Information of the Compound
| Compound ID |
CP0374510
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| Compound Name |
(2R)-1-[(3,4-dichlorophenyl)sulfonyl]-2-methyl-4-[2-(trifluoromethyl)phenyl]piperazine
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| Structure |
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| Formula |
C18H17Cl2F3N2O2S
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| Molecular Weight |
453.313
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C18H17Cl2F3N2O2S/c1-12-11-24(17-5-3-2-4-14(17)18(21,22)23)8-9-25(12)28(26,27)13-6-7-15(19)16(20)10-13/h2-7,10,12H,8-9,11H2,1H3/t12-/m1/s1
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| InChIKey |
JEEXNJWEDOIWGR-GFCCVEGCSA-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