General Information of the Compound
| Compound ID |
CP0499168
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| Compound Name |
7-(4-morpholin-4-ylphenyl)-2-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one
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| Structure |
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| Formula |
C20H18N4O2S
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| Molecular Weight |
378.457
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| Canonical SMILES |
O=c1[nH]cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc12)-c1cn[nH]c1
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| InChI |
InChI=1S/C20H18N4O2S/c25-20-16-9-18(14-10-22-23-11-14)27-19(16)17(12-21-20)13-1-3-15(4-2-13)24-5-7-26-8-6-24/h1-4,9-12H,5-8H2,(H,21,25)(H,22,23)
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| InChIKey |
VBVQRWCLJVUBMP-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