General Information of the Compound
| Compound ID |
CP0059002
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| Compound Name |
6-(5-methylsulfonylpyridin-3-yl)-1,3-benzothiazol-2-amine
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| Structure |
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| Formula |
C13H11N3O2S2
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| Molecular Weight |
305.384
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| Canonical SMILES |
CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)sc2c1
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| InChI |
InChI=1S/C13H11N3O2S2/c1-20(17,18)10-4-9(6-15-7-10)8-2-3-11-12(5-8)19-13(14)16-11/h2-7H,1H3,(H2,14,16)
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| InChIKey |
KCZKGYFLHBVLMU-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