General Information of the Compound
| Compound ID |
CP0443821
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| Compound Name |
4-(furan-2-yl)-2-(2-hydroxyethylsulfanyl)-6-(4-iodoanilino)pyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C19H13IN4O2S
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| Molecular Weight |
488.31
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| Canonical SMILES |
OCCSc1nc(Nc2ccc(I)cc2)c(C#N)c(-c2ccco2)c1C#N
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| InChI |
InChI=1S/C19H13IN4O2S/c20-12-3-5-13(6-4-12)23-18-14(10-21)17(16-2-1-8-26-16)15(11-22)19(24-18)27-9-7-25/h1-6,8,25H,7,9H2,(H,23,24)
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| InChIKey |
GYCKXVURDKJMLG-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