General Information of the Compound
| Compound ID |
CP0579781
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| Compound Name |
N-[2-[acetyl(1,3-benzothiazol-6-yl)amino]pyridin-4-yl]-2-(2-chlorophenyl)acetamide
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| Structure |
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| Formula |
C22H17ClN4O2S
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| Molecular Weight |
436.924
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| Canonical SMILES |
CC(=O)N(c1ccc2ncsc2c1)c1cc(NC(=O)Cc2ccccc2Cl)ccn1
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| InChI |
InChI=1S/C22H17ClN4O2S/c1-14(28)27(17-6-7-19-20(12-17)30-13-25-19)21-11-16(8-9-24-21)26-22(29)10-15-4-2-3-5-18(15)23/h2-9,11-13H,10H2,1H3,(H,24,26,29)
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| InChIKey |
DKFJSNVNVRGJCK-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