General Information of the Compound
| Compound ID |
CP0945990
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| Compound Name |
5-Benzyl-2-pyridin-2-yl-pyrimidine-4,6-diol
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| Structure |
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| Formula |
C16H13N3O2
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| Molecular Weight |
279.299
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| Canonical SMILES |
Oc1nc(-c2ccccn2)nc(O)c1Cc1ccccc1
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| InChI |
InChI=1S/C16H13N3O2/c20-15-12(10-11-6-2-1-3-7-11)16(21)19-14(18-15)13-8-4-5-9-17-13/h1-9H,10H2,(H2,18,19,20,21)
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| InChIKey |
YVNATZNDIHZEFR-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