General Information of the Compound
| Compound ID |
CP0463835
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| Compound Name |
5-chloro-2-imino-1-[1-(3-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C15H16ClN3O3S
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| Molecular Weight |
353.831
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| Canonical SMILES |
CC(c1cccc(c1)S(C)(=O)=O)n1cc(Cl)cc(C(N)=O)c1=N
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| InChI |
InChI=1S/C15H16ClN3O3S/c1-9(10-4-3-5-12(6-10)23(2,21)22)19-8-11(16)7-13(14(19)17)15(18)20/h3-9,17H,1-2H3,(H2,18,20)
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| InChIKey |
NTDQMORGMOXXNC-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