General Information of the Compound
| Compound ID |
CP0521846
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| Compound Name |
4-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)thiophene-3-carbonitrile
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| Structure |
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| Formula |
C17H9N3OS2
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| Molecular Weight |
335.413
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| Canonical SMILES |
O=c1[nH]cc(-c2cscc2C#N)c2sc(cc12)-c1ccncc1
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| InChI |
InChI=1S/C17H9N3OS2/c18-6-11-8-22-9-14(11)13-7-20-17(21)12-5-15(23-16(12)13)10-1-3-19-4-2-10/h1-5,7-9H,(H,20,21)
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| InChIKey |
HRLAEVMLTWVMMY-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