General Information of the Compound
| Compound ID |
CP0054287
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| Compound Name |
3-(Toluene-4-sulfonyl)-thiazolidine-2-carboxylic acid(5-carbamoyl-adamantan-2-yl)-amide
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| Structure |
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| Formula |
C22H29N3O4S2
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| Molecular Weight |
463.625
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O
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| InChI |
InChI=1S/C22H29N3O4S2/c1-13-2-4-17(5-3-13)31(28,29)25-6-7-30-20(25)19(26)24-18-15-8-14-9-16(18)12-22(10-14,11-15)21(23)27/h2-5,14-16,18,20H,6-12H2,1H3,(H2,23,27)(H,24,26)
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| InChIKey |
ZQLZVPJNENBVOL-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