General Information of the Compound
| Compound ID |
CP0501198
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| Compound Name |
2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one
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| Structure |
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| Formula |
C21H13N3OS
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| Molecular Weight |
355.422
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| Canonical SMILES |
O=c1[nH]cc(-c2cccc3cccnc23)c2sc(cc12)-c1ccncc1
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| InChI |
InChI=1S/C21H13N3OS/c25-21-16-11-18(13-6-9-22-10-7-13)26-20(16)17(12-24-21)15-5-1-3-14-4-2-8-23-19(14)15/h1-12H,(H,24,25)
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| InChIKey |
ZFBKXLJPSOHGSJ-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