General Information of the Compound
| Compound ID |
CP0496339
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| Compound Name |
(2R)-3-Chloro-4-(4-(4-fluoro-2-(trifluoromethyl)phenyl)-2-methylpiperazin-1-ylsulfonyl)benzonitrile
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| Structure |
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| Formula |
C19H16ClF4N3O2S
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| Molecular Weight |
461.868
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)C#N)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C19H16ClF4N3O2S/c1-12-11-26(17-4-3-14(21)9-15(17)19(22,23)24)6-7-27(12)30(28,29)18-5-2-13(10-25)8-16(18)20/h2-5,8-9,12H,6-7,11H2,1H3/t12-/m1/s1
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| InChIKey |
CZCHJZVFTFTEAX-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1