General Information of the Compound
| Compound ID |
CP0379956
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| Compound Name |
2-(2-chloro-N-methylsulfonylanilino)-N-(2-fluoropyridin-3-yl)acetamide
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| Structure |
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| Formula |
C14H13ClFN3O3S
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| Molecular Weight |
357.794
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| Canonical SMILES |
CS(=O)(=O)N(CC(=O)Nc1cccnc1F)c1ccccc1Cl
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| InChI |
InChI=1S/C14H13ClFN3O3S/c1-23(21,22)19(12-7-3-2-5-10(12)15)9-13(20)18-11-6-4-8-17-14(11)16/h2-8H,9H2,1H3,(H,18,20)
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| InChIKey |
VSSMHCBMBYWYSS-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