General Information of the Compound
| Compound ID |
CP0543216
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| Compound Name |
2-[2-(5-cyano-3-hydroxypyridin-2-yl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
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| Structure |
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| Formula |
C12H8N4O4
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| Molecular Weight |
272.22
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| Canonical SMILES |
OC(=O)Cc1cnc([nH]c1=O)-c1ncc(cc1O)C#N
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| InChI |
InChI=1S/C12H8N4O4/c13-3-6-1-8(17)10(14-4-6)11-15-5-7(2-9(18)19)12(20)16-11/h1,4-5,17H,2H2,(H,18,19)(H,15,16,20)
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| InChIKey |
QAXFRRUDVWYNAX-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