General Information of the Compound
| Compound ID |
CP0432738
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| Compound Name |
7-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]-8-methyl-5-propylnaphthalene-2-carbonitrile
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| Structure |
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| Formula |
C27H25N3O4
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| Molecular Weight |
455.514
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| Canonical SMILES |
CCCc1cc(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)c(C)c2cc(ccc12)C#N
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| InChI |
InChI=1S/C27H25N3O4/c1-3-6-20-16-25(18(2)22-15-19(17-28)9-10-21(20)22)34-24-8-5-4-7-23(24)33-14-13-30-12-11-26(31)29-27(30)32/h4-5,7-12,15-16H,3,6,13-14H2,1-2H3,(H,29,31,32)
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| InChIKey |
DQFDGHUZGLZTLS-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