General Information of the Compound
| Compound ID |
CP0528274
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| Compound Name |
[5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
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| Structure |
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| Formula |
C20H22N2O2S2
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| Molecular Weight |
386.542
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| Canonical SMILES |
CC(C)(C)c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccccc1
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| InChI |
InChI=1S/C20H22N2O2S2/c1-20(2,3)16-9-15(14-7-5-4-6-8-14)10-17(11-16)26(23,24)19-13-22-18(12-21)25-19/h4-11,13H,12,21H2,1-3H3
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| InChIKey |
HYCVXHVVBRZYLY-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