General Information of the Compound
| Compound ID |
CP0500425
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| Compound Name |
4-Oxopyrimidine, 24
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| Structure |
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| Formula |
C21H15F3N4O2S
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| Molecular Weight |
444.438
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| Canonical SMILES |
CCC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C21H15F3N4O2S/c1-2-17(29)27-20-28-19-15(4-3-5-16(19)31-20)30-18-10-14(25-11-26-18)12-6-8-13(9-7-12)21(22,23)24/h3-11H,2H2,1H3,(H,27,28,29)
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| InChIKey |
VWEPXTQGIQQGHR-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