General Information of the Compound
| Compound ID |
CP0543423
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| Compound Name |
7-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-4-fluorophenoxy]-5,8-dimethylnaphthalene-2-carbonitrile
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| Structure |
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| Formula |
C25H20FN3O4
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| Molecular Weight |
445.45
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| Canonical SMILES |
Cc1cc(Oc2ccc(F)cc2OCCn2ccc(=O)[nH]c2=O)c(C)c2cc(ccc12)C#N
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| InChI |
InChI=1S/C25H20FN3O4/c1-15-11-22(16(2)20-12-17(14-27)3-5-19(15)20)33-21-6-4-18(26)13-23(21)32-10-9-29-8-7-24(30)28-25(29)31/h3-8,11-13H,9-10H2,1-2H3,(H,28,30,31)
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| InChIKey |
JOZUOHBWIKONKE-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