General Information of the Compound
| Compound ID |
CP0521804
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| Compound Name |
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
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| Structure |
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| Formula |
C20H14N2O3S
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| Molecular Weight |
362.41
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| Canonical SMILES |
O=c1[nH]cc(-c2ccc3OCCOc3c2)c2sc(cc12)-c1ccncc1
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| InChI |
InChI=1S/C20H14N2O3S/c23-20-14-10-18(12-3-5-21-6-4-12)26-19(14)15(11-22-20)13-1-2-16-17(9-13)25-8-7-24-16/h1-6,9-11H,7-8H2,(H,22,23)
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| InChIKey |
ZPWUMOCCPBUNND-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