General Information of the Compound
| Compound ID |
CP0476539
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| Compound Name |
2-Amino-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(3-thienyl)pyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C19H11ClN4OS2
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| Molecular Weight |
410.911
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| Canonical SMILES |
Nc1nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c(-c2ccsc2)c1C#N
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| InChI |
InChI=1S/C19H11ClN4OS2/c20-13-3-1-11(2-4-13)16(25)10-27-19-15(8-22)17(12-5-6-26-9-12)14(7-21)18(23)24-19/h1-6,9H,10H2,(H2,23,24)
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| InChIKey |
IGWMATWUOJUJRZ-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
Protein ID: PT01203, ALK tyrosine kinase receptor
Protein ID: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
Protein ID: PT01071, Tyrosine-protein kinase ABL1