General Information of the Compound
| Compound ID |
CP0178050
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| Compound Name |
5-(3,5-dichloropyridin-4-yl)sulfanyl-N-(4-methylsulfonylphenyl)-4-nitrothiophene-2-carboxamide
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| Structure |
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| Formula |
C17H11Cl2N3O5S3
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| Molecular Weight |
504.398
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| Canonical SMILES |
CS(=O)(=O)c1ccc(NC(=O)c2cc(c(Sc3c(Cl)cncc3Cl)s2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C17H11Cl2N3O5S3/c1-30(26,27)10-4-2-9(3-5-10)21-16(23)14-6-13(22(24)25)17(28-14)29-15-11(18)7-20-8-12(15)19/h2-8H,1H3,(H,21,23)
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| InChIKey |
GTEDMDSLGCKYMS-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