General Information of the Compound
| Compound ID |
CP0432334
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| Compound Name |
ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate
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| Structure |
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| Formula |
C16H15Cl2N3O5S2
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| Molecular Weight |
464.352
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| Canonical SMILES |
CCOC(=O)c1cnc(N2CC(C2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1
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| InChI |
InChI=1S/C16H15Cl2N3O5S2/c1-2-26-16(23)9-5-11(17)14(19-6-9)21-7-10(8-21)15(22)20-28(24,25)13-4-3-12(18)27-13/h3-6,10H,2,7-8H2,1H3,(H,20,22)
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| InChIKey |
NSNYUHLSOAUSPF-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