General Information of the Compound
| Compound ID |
CP0527658
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| Compound Name |
3-(4-tert-Butyl-benzenesulfonyl)-thiazolidine-2-carboxylic acid adamantan-2-ylamide
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| Structure |
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| Formula |
C24H34N2O3S2
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| Molecular Weight |
462.681
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C24H34N2O3S2/c1-24(2,3)19-4-6-20(7-5-19)31(28,29)26-8-9-30-23(26)22(27)25-21-17-11-15-10-16(13-17)14-18(21)12-15/h4-7,15-18,21,23H,8-14H2,1-3H3,(H,25,27)
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| InChIKey |
QSESSUYGQBPPTK-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