General Information of the Compound
| Compound ID |
CP0432739
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| Compound Name |
7-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]-5,6,8-trimethylnaphthalene-2-carbonitrile
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| Structure |
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| Formula |
C26H23N3O4
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| Molecular Weight |
441.487
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| Canonical SMILES |
Cc1c(C)c2ccc(cc2c(C)c1Oc1ccccc1OCCn1ccc(=O)[nH]c1=O)C#N
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| InChI |
InChI=1S/C26H23N3O4/c1-16-17(2)25(18(3)21-14-19(15-27)8-9-20(16)21)33-23-7-5-4-6-22(23)32-13-12-29-11-10-24(30)28-26(29)31/h4-11,14H,12-13H2,1-3H3,(H,28,30,31)
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| InChIKey |
UDLJPEPXPQDANC-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