General Information of the Compound
| Compound ID |
CP0238872
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| Compound Name |
N-[6-[2-(2-fluorophenyl)sulfanylpyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C19H13FN4OS2
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| Molecular Weight |
396.472
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| Canonical SMILES |
CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(Sc2ccccc2F)n1
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| InChI |
InChI=1S/C19H13FN4OS2/c1-11(25)22-19-24-15-7-6-12(10-17(15)27-19)14-8-9-21-18(23-14)26-16-5-3-2-4-13(16)20/h2-10H,1H3,(H,22,24,25)
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| InChIKey |
PZOVIUOLJWBJSA-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