General Information of the Compound
| Compound ID |
CP0496191
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| Compound Name |
N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C21H23F3N2O4S
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| Molecular Weight |
456.486
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C21H23F3N2O4S/c1-14-12-26(13-15(2)30-14)20(27)17-8-6-16(7-9-17)11-25-31(28,29)19-5-3-4-18(10-19)21(22,23)24/h3-10,14-15,25H,11-13H2,1-2H3/t14-,15+
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| InChIKey |
FSVZPWKXBXPVMH-GASCZTMLSA-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