General Information of the Compound
| Compound ID |
CP0492885
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| Compound Name |
4-Oxopyrimidine, 29a
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| Structure |
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| Formula |
C20H12F3N3O2
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| Molecular Weight |
383.329
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1cc(Oc2cccc3ccc(=O)[nH]c23)ncn1
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| InChI |
InChI=1S/C20H12F3N3O2/c21-20(22,23)14-7-4-12(5-8-14)15-10-18(25-11-24-15)28-16-3-1-2-13-6-9-17(27)26-19(13)16/h1-11H,(H,26,27)
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| InChIKey |
KZUFJUZSABLGKS-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