General Information of the Compound
| Compound ID |
CP0534793
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| Compound Name |
N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-chloropyridin-3-yl]-3-fluorobenzamide
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| Structure |
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| Formula |
C21H14ClFN4O2S
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| Molecular Weight |
440.887
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| Canonical SMILES |
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2cccc(F)c2)c1
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| InChI |
InChI=1S/C21H14ClFN4O2S/c1-11(28)25-21-27-16-6-5-12(9-18(16)30-21)14-8-17(19(22)24-10-14)26-20(29)13-3-2-4-15(23)7-13/h2-10H,1H3,(H,26,29)(H,25,27,28)
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| InChIKey |
GZUQPOFBGVLSQM-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