General Information of the Compound
| Compound ID |
CP0529371
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| Compound Name |
4-Oxopyrimidine, 22
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| Structure |
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| Formula |
C22H15F3N4O2
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| Molecular Weight |
424.382
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| Canonical SMILES |
CC(=O)Nc1ccc2cccc(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C22H15F3N4O2/c1-13(30)28-19-10-7-15-3-2-4-18(21(15)29-19)31-20-11-17(26-12-27-20)14-5-8-16(9-6-14)22(23,24)25/h2-12H,1H3,(H,28,29,30)
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| InChIKey |
WQDDBWMJCNRULN-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