General Information of the Compound
| Compound ID |
CP0069400
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| Compound Name |
6-(1-benzofuran-5-yl)pyrimidine-4-carboxylic acid
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| Structure |
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| Formula |
C13H8N2O3
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| Molecular Weight |
240.218
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| Canonical SMILES |
OC(=O)c1cc(ncn1)-c1ccc2occc2c1
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| InChI |
InChI=1S/C13H8N2O3/c16-13(17)11-6-10(14-7-15-11)8-1-2-12-9(5-8)3-4-18-12/h1-7H,(H,16,17)
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| InChIKey |
ZISAHTKVUXISJE-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