General Information of the Compound
| Compound ID |
CP0566915
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| Compound Name |
5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C14H14ClN3O3S
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| Molecular Weight |
339.804
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| Canonical SMILES |
CS(=O)(=O)c1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1
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| InChI |
InChI=1S/C14H14ClN3O3S/c1-22(20,21)11-4-2-3-9(5-11)7-18-8-10(15)6-12(13(18)16)14(17)19/h2-6,8,16H,7H2,1H3,(H2,17,19)
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| InChIKey |
DNFZOZVDACIQML-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