General Information of the Compound
| Compound ID |
CP0458497
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]-8-methyl-5-propan-2-ylnaphthalene-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25N3O4
|
||||||||||||||||||
| Molecular Weight |
455.514
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cc(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)c(C)c2cc(ccc12)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25N3O4/c1-17(2)21-15-25(18(3)22-14-19(16-28)8-9-20(21)22)34-24-7-5-4-6-23(24)33-13-12-30-11-10-26(31)29-27(30)32/h4-11,14-15,17H,12-13H2,1-3H3,(H,29,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ILLSVADHCMDWJF-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