General Information of the Compound
| Compound ID |
CP0371129
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-fluorobenzyl)-5-(4-fluorobenzyl)oxy-3,4-dihydroisocarbostyril
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19F2NO2
|
||||||||||||||||||
| Molecular Weight |
379.406
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(COc2cccc3C(=O)N(Cc4ccc(F)cc4)CCc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19F2NO2/c24-18-8-4-16(5-9-18)14-26-13-12-20-21(23(26)27)2-1-3-22(20)28-15-17-6-10-19(25)11-7-17/h1-11H,12-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDOJUZFSPWVBJM-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