General Information of the Compound
| Compound ID |
CP0128863
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| Compound Name |
4-[(3R)-3-methyl-4-[5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C20H21F6N3O4S2
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| Molecular Weight |
545.527
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(s1)[C@@](C)(O)C(F)(F)F)c1ccc(cc1C(F)(F)F)C(N)=O
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| InChI |
InChI=1S/C20H21F6N3O4S2/c1-11-10-28(14-4-3-12(17(27)30)9-13(14)19(21,22)23)7-8-29(11)35(32,33)16-6-5-15(34-16)18(2,31)20(24,25)26/h3-6,9,11,31H,7-8,10H2,1-2H3,(H2,27,30)/t11-,18-/m1/s1
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| InChIKey |
CGZVGIXYFOOWKJ-ADLMAVQZSA-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1