General Information of the Compound
| Compound ID |
CP0488035
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| Compound Name |
[5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine
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| Structure |
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| Formula |
C11H12N2O2S2
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| Molecular Weight |
268.363
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)-c1cnc(CN)s1
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| InChI |
InChI=1S/C11H12N2O2S2/c1-17(14,15)9-4-2-3-8(5-9)10-7-13-11(6-12)16-10/h2-5,7H,6,12H2,1H3
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| InChIKey |
JGDJXJCJMNISJD-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