General Information of the Compound
| Compound ID |
CP0388470
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| Compound Name |
2-[3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)phenyl]acetonitrile
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| Structure |
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| Formula |
C20H13N3OS
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| Molecular Weight |
343.411
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| Canonical SMILES |
O=c1[nH]cc(-c2cccc(CC#N)c2)c2sc(cc12)-c1ccncc1
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| InChI |
InChI=1S/C20H13N3OS/c21-7-4-13-2-1-3-15(10-13)17-12-23-20(24)16-11-18(25-19(16)17)14-5-8-22-9-6-14/h1-3,5-6,8-12H,4H2,(H,23,24)
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| InChIKey |
PIVLHBNDKATOGM-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