General Information of the Compound
| Compound ID |
CP0466941
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| Compound Name |
6-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C16H12N4OS2
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| Molecular Weight |
340.433
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| Canonical SMILES |
CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
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| InChI |
InChI=1S/C16H12N4OS2/c1-20(10-5-6-12-14(8-10)23-16(21)19-12)15-18-13(9-22-15)11-4-2-3-7-17-11/h2-9H,1H3,(H,19,21)
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| InChIKey |
CRPQUNBPUQJQJE-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