General Information of the Compound
| Compound ID |
CP0386310
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-7-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-4-fluorophenoxy]naphthalene-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H15ClFN3O4
|
||||||||||||||||||
| Molecular Weight |
451.841
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Oc2cc(Cl)c3ccc(cc3c2)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H15ClFN3O4/c24-19-12-17(10-15-9-14(13-26)1-3-18(15)19)32-20-4-2-16(25)11-21(20)31-8-7-28-6-5-22(29)27-23(28)30/h1-6,9-12H,7-8H2,(H,27,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FHIXSNMHMAOPMC-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