General Information of the Compound
| Compound ID |
CP0838177
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| Compound Name |
2-(4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)isonicotinic acid
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| Structure |
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| Formula |
C12H7N3O3S
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| Molecular Weight |
273.273
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| Canonical SMILES |
O=C(O)c1ccnc(-c2nc3sccc3c(=O)[nH]2)c1
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| InChI |
InChI=1S/C12H7N3O3S/c16-10-7-2-4-19-11(7)15-9(14-10)8-5-6(12(17)18)1-3-13-8/h1-5H,(H,17,18)(H,14,15,16)
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| InChIKey |
FENABBRLZBYAIS-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