General Information of the Compound
| Compound ID |
CP0386308
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| Compound Name |
7-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]-6,8-dimethylnaphthalene-2-carbonitrile
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| Structure |
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| Formula |
C25H21N3O4
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| Molecular Weight |
427.46
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| Canonical SMILES |
Cc1cc2ccc(cc2c(C)c1Oc1ccccc1OCCn1ccc(=O)[nH]c1=O)C#N
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| InChI |
InChI=1S/C25H21N3O4/c1-16-13-19-8-7-18(15-26)14-20(19)17(2)24(16)32-22-6-4-3-5-21(22)31-12-11-28-10-9-23(29)27-25(28)30/h3-10,13-14H,11-12H2,1-2H3,(H,27,29,30)
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| InChIKey |
CHUQPDPBGYQCDO-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