General Information of the Compound
| Compound ID |
CP0429823
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| Compound Name |
3-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)but-2-enamide
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| Structure |
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| Formula |
C10H14N2OS2
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| Molecular Weight |
242.369
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| Canonical SMILES |
CSc1sc(NC(=O)C=C(C)C)nc1C
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| InChI |
InChI=1S/C10H14N2OS2/c1-6(2)5-8(13)12-10-11-7(3)9(14-4)15-10/h5H,1-4H3,(H,11,12,13)
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| InChIKey |
DJNORLXEIXLXQE-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: PT00840, Adenosine receptor A1
Protein ID: PT05120, Transmembrane domain-containing protein TMIGD3