General Information of the Compound
| Compound ID |
CP0397022
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| Compound Name |
(2R)-1-(3-Chloro-4-(4-(4-fluoro-2-(trifluoromethyl)phenyl)-2-methylpiperazin-1-ylsulfonyl)phenyl)piperidine-4-carboxylic Acid
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| Structure |
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| Formula |
C24H26ClF4N3O4S
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| Molecular Weight |
564.001
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCC(CC1)C(O)=O)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C24H26ClF4N3O4S/c1-15-14-31(21-4-2-17(26)12-19(21)24(27,28)29)10-11-32(15)37(35,36)22-5-3-18(13-20(22)25)30-8-6-16(7-9-30)23(33)34/h2-5,12-13,15-16H,6-11,14H2,1H3,(H,33,34)/t15-/m1/s1
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| InChIKey |
PTKBEQICSFJDHU-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