General Information of the Compound
| Compound ID |
CP0551454
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]-5-methoxy-8-methylnaphthalene-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21N3O5
|
||||||||||||||||||
| Molecular Weight |
443.459
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)c(C)c2cc(ccc12)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21N3O5/c1-16-19-13-17(15-26)7-8-18(19)23(31-2)14-22(16)33-21-6-4-3-5-20(21)32-12-11-28-10-9-24(29)27-25(28)30/h3-10,13-14H,11-12H2,1-2H3,(H,27,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LYKAUIWQSLEYNQ-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound