General Information of the Compound
| Compound ID |
CP0410549
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| Compound Name |
(2R)-1-[3-Chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)phenyl]-N,N-dimethylpiperidin-4-amine
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| Structure |
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| Formula |
C25H31ClF4N4O2S
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| Molecular Weight |
563.061
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCC(CC1)N(C)C)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C25H31ClF4N4O2S/c1-17-16-33(23-6-4-18(27)14-21(23)25(28,29)30)12-13-34(17)37(35,36)24-7-5-20(15-22(24)26)32-10-8-19(9-11-32)31(2)3/h4-7,14-15,17,19H,8-13,16H2,1-3H3/t17-/m1/s1
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| InChIKey |
SOVZOZFLGBPRRF-QGZVFWFLSA-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