General Information of the Compound
| Compound ID |
CP0492887
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| Compound Name |
4-Oxopyrimidine, 20
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| Structure |
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| Formula |
C20H13F3N4O
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| Molecular Weight |
382.345
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| Canonical SMILES |
Nc1ccc2cccc(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C20H13F3N4O/c21-20(22,23)14-7-4-12(5-8-14)15-10-18(26-11-25-15)28-16-3-1-2-13-6-9-17(24)27-19(13)16/h1-11H,(H2,24,27)
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| InChIKey |
XEBBMEXBEQLSSM-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