General Information of the Compound
| Compound ID |
CP0381219
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| Compound Name |
3-Benzenesulfonyl-thiazolidine-2-carboxylic acid(5-carbamoyl-adamantan-2-yl)-amide
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| Structure |
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| Formula |
C21H27N3O4S2
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| Molecular Weight |
449.598
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| Canonical SMILES |
NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1)C(C3)C2
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| InChI |
InChI=1S/C21H27N3O4S2/c22-20(26)21-10-13-8-14(11-21)17(15(9-13)12-21)23-18(25)19-24(6-7-29-19)30(27,28)16-4-2-1-3-5-16/h1-5,13-15,17,19H,6-12H2,(H2,22,26)(H,23,25)
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| InChIKey |
AIHUEZKHRMINIK-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1