General Information of the Compound
| Compound ID |
CP0476540
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| Compound Name |
2-Amino-6-{[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl}-4-(3-thienyl)pyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C20H11N5OS2
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| Molecular Weight |
401.476
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| Canonical SMILES |
Nc1nc(SCC(=O)c2ccc(cc2)C#N)c(C#N)c(-c2ccsc2)c1C#N
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| InChI |
InChI=1S/C20H11N5OS2/c21-7-12-1-3-13(4-2-12)17(26)11-28-20-16(9-23)18(14-5-6-27-10-14)15(8-22)19(24)25-20/h1-6,10H,11H2,(H2,24,25)
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| InChIKey |
CJQAMWZTESTPPX-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