General Information of the Compound
| Compound ID |
CP0506074
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| Compound Name |
(2R)-1-(4-tert-Butoxy-2-chlorophenylsulfonyl)-4-(4-fluoro-2-(trifluoromethyl)phenyl)-2-methylpiperazine
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| Structure |
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| Formula |
C22H25ClF4N2O3S
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| Molecular Weight |
508.965
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(OC(C)(C)C)cc1Cl)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H25ClF4N2O3S/c1-14-13-28(19-7-5-15(24)11-17(19)22(25,26)27)9-10-29(14)33(30,31)20-8-6-16(12-18(20)23)32-21(2,3)4/h5-8,11-12,14H,9-10,13H2,1-4H3/t14-/m1/s1
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| InChIKey |
DQDJMXFLLBJPQA-CQSZACIVSA-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