General Information of the Compound
| Compound ID |
CP0503869
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| Compound Name |
2-Amino-6-[(2-oxo-2-phenylethyl)sulfanyl]-4-(3-thienyl)pyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C19H12N4OS2
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| Molecular Weight |
376.466
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| Canonical SMILES |
Nc1nc(SCC(=O)c2ccccc2)c(C#N)c(-c2ccsc2)c1C#N
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| InChI |
InChI=1S/C19H12N4OS2/c20-8-14-17(13-6-7-25-10-13)15(9-21)19(23-18(14)22)26-11-16(24)12-4-2-1-3-5-12/h1-7,10H,11H2,(H2,22,23)
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| InChIKey |
ARMHOYQEFMZUND-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