General Information of the Compound
| Compound ID |
CP0407976
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| Compound Name |
3-(4-Fluoro-benzenesulfonyl)-thiazolidine-2-carboxylic acid(5-carbamoyl-adamantan-2-yl)-amide
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| Structure |
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| Formula |
C21H26FN3O4S2
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| Molecular Weight |
467.588
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| Canonical SMILES |
NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(F)cc1)C(C3)C2
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| InChI |
InChI=1S/C21H26FN3O4S2/c22-15-1-3-16(4-2-15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)
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| InChIKey |
OGOJJFPCRXUUKA-UHFFFAOYSA-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