General Information of the Compound
| Compound ID |
CP0335642
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| Compound Name |
8-[(2-cyanopyridin-3-yl)methylsulfanyl]-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C16H12N4O2S
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| Molecular Weight |
324.365
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| Canonical SMILES |
O=c1[nH]c(SCc2cccnc2C#N)c2COCCc2c1C#N
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| InChI |
InChI=1S/C16H12N4O2S/c17-6-12-11-3-5-22-8-13(11)16(20-15(12)21)23-9-10-2-1-4-19-14(10)7-18/h1-2,4H,3,5,8-9H2,(H,20,21)
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| InChIKey |
RMZOHPFYZBRDJW-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1