General Information of the Compound
| Compound ID |
CP0400670
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| Compound Name |
2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(3-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
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| Structure |
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| Formula |
C22H18N2OS2
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| Molecular Weight |
390.533
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| Canonical SMILES |
O=C(CSc1nc2CCCCc2c(-c2ccsc2)c1C#N)c1ccccc1
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| InChI |
InChI=1S/C22H18N2OS2/c23-12-18-21(16-10-11-26-13-16)17-8-4-5-9-19(17)24-22(18)27-14-20(25)15-6-2-1-3-7-15/h1-3,6-7,10-11,13H,4-5,8-9,14H2
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| InChIKey |
DVJXKFMYASKDOH-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