General Information of the Compound
| Compound ID |
CP0218935
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| Compound Name |
N-[6-(2-methylsulfanylpyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C14H12N4OS2
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| Molecular Weight |
316.411
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| Canonical SMILES |
CSc1nccc(n1)-c1ccc2nc(NC(C)=O)sc2c1
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| InChI |
InChI=1S/C14H12N4OS2/c1-8(19)16-14-18-11-4-3-9(7-12(11)21-14)10-5-6-15-13(17-10)20-2/h3-7H,1-2H3,(H,16,18,19)
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| InChIKey |
UJBQBHAEDABZIB-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