General Information of the Compound
| Compound ID |
CP0437374
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| Compound Name |
4-Oxopyrimidine, 31
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| Structure |
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| Formula |
C19H12F3N5O
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| Molecular Weight |
383.333
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| Canonical SMILES |
Nc1cnc2cccc(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C19H12F3N5O/c20-19(21,22)12-6-4-11(5-7-12)14-8-17(26-10-25-14)28-15-3-1-2-13-18(15)27-16(23)9-24-13/h1-10H,(H2,23,27)
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| InChIKey |
HAZOQFLLNDJKJA-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