General Information of the Compound
| Compound ID |
CP0471584
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-(4-methoxy-1-benzofuran-5-yl)-3-phenylpyrazol-1-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C25H17N3O2
|
||||||||||||||||||
| Molecular Weight |
391.43
|
||||||||||||||||||
| Canonical SMILES |
COc1c(ccc2occc12)-c1cc(nn1-c1ccc(cc1)C#N)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H17N3O2/c1-29-25-20(11-12-24-21(25)13-14-30-24)23-15-22(18-5-3-2-4-6-18)27-28(23)19-9-7-17(16-26)8-10-19/h2-15H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KULLUQBZTBYETK-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 | |||||||||||||||||||
| 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
Protein ID: PT02204, Cytochrome P450 1A1
Protein ID: PT02205, Cytochrome P450 1B1