General Information of the Compound
| Compound ID |
CP0386309
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| Compound Name |
7-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-4-fluorophenoxy]naphthalene-2-carbonitrile
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| Structure |
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| Formula |
C23H16FN3O4
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| Molecular Weight |
417.396
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| Canonical SMILES |
Fc1ccc(Oc2ccc3ccc(cc3c2)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1
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| InChI |
InChI=1S/C23H16FN3O4/c24-18-4-6-20(21(13-18)30-10-9-27-8-7-22(28)26-23(27)29)31-19-5-3-16-2-1-15(14-25)11-17(16)12-19/h1-8,11-13H,9-10H2,(H,26,28,29)
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| InChIKey |
ZPHDCAUTJFTFSV-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