General Information of the Compound
| Compound ID |
CP0093365
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| Compound Name |
1-[(2-cyanopyridin-3-yl)methylsulfanyl]-7-fluoro-3-oxo-2H-isoquinoline-4-carbonitrile
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| Structure |
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| Formula |
C17H9FN4OS
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| Molecular Weight |
336.351
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| Canonical SMILES |
Fc1ccc2c(C#N)c(=O)[nH]c(SCc3cccnc3C#N)c2c1
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| InChI |
InChI=1S/C17H9FN4OS/c18-11-3-4-12-13(6-11)17(22-16(23)14(12)7-19)24-9-10-2-1-5-21-15(10)8-20/h1-6H,9H2,(H,22,23)
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| InChIKey |
XRFIQEZBPKKEID-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