General Information of the Compound
| Compound ID |
CP0294227
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| Compound Name |
N-[6-[2-(3-methoxyphenyl)sulfanylpyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C20H16N4O2S2
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| Molecular Weight |
408.508
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| Canonical SMILES |
COc1cccc(Sc2nccc(n2)-c2ccc3nc(NC(C)=O)sc3c2)c1
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| InChI |
InChI=1S/C20H16N4O2S2/c1-12(25)22-20-24-17-7-6-13(10-18(17)28-20)16-8-9-21-19(23-16)27-15-5-3-4-14(11-15)26-2/h3-11H,1-2H3,(H,22,24,25)
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| InChIKey |
INBNTRBWUKHTMM-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