General Information of the Compound
| Compound ID |
CP0356121
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| Compound Name |
N-[4-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-2-yl]-4-methoxybenzamide
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| Structure |
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| Formula |
C21H17N5O3S
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| Molecular Weight |
419.466
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nccc(n1)-c1ccc2nc(NC(C)=O)sc2c1
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| InChI |
InChI=1S/C21H17N5O3S/c1-12(27)23-21-25-17-8-5-14(11-18(17)30-21)16-9-10-22-20(24-16)26-19(28)13-3-6-15(29-2)7-4-13/h3-11H,1-2H3,(H,23,25,27)(H,22,24,26,28)
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| InChIKey |
PFNHXNIDPJSOBS-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