General Information of the Compound
| Compound ID |
CP0388344
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| Compound Name |
3-Chloro-N-{4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]benzyl}-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C20H22ClFN2O4S
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| Molecular Weight |
440.924
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
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| InChI |
InChI=1S/C20H22ClFN2O4S/c1-13-11-24(12-14(2)28-13)20(25)16-5-3-15(4-6-16)10-23-29(26,27)17-7-8-19(22)18(21)9-17/h3-9,13-14,23H,10-12H2,1-2H3/t13-,14+
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| InChIKey |
SQZWJDXCUYQULP-OKILXGFUSA-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