General Information of the Compound
| Compound ID |
CP0476541
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| Compound Name |
2-(4-fluorobenzylsulfanyl)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
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| Structure |
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| Formula |
C21H17FN2S2
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| Molecular Weight |
380.513
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| Canonical SMILES |
Fc1ccc(CSc2nc3CCCCc3c(-c3cccs3)c2C#N)cc1
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| InChI |
InChI=1S/C21H17FN2S2/c22-15-9-7-14(8-10-15)13-26-21-17(12-23)20(19-6-3-11-25-19)16-4-1-2-5-18(16)24-21/h3,6-11H,1-2,4-5,13H2
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| InChIKey |
FJAGVGBQBVTRAB-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