General Information of the Compound
| Compound ID |
CP0498950
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| Compound Name |
(2R)-1-[(2-Chloro-4-pyrrolidin-1-ylphenyl)sulfonyl]-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazine
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| Structure |
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| Formula |
C22H24ClF4N3O2S
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| Molecular Weight |
505.965
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCCC1)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H24ClF4N3O2S/c1-15-14-29(20-6-4-16(24)12-18(20)22(25,26)27)10-11-30(15)33(31,32)21-7-5-17(13-19(21)23)28-8-2-3-9-28/h4-7,12-13,15H,2-3,8-11,14H2,1H3/t15-/m1/s1
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| InChIKey |
WKDYIGGJVLAVSG-OAHLLOKOSA-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