General Information of the Compound
| Compound ID |
CP0450447
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-hydroxyphenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H35N3O6
|
||||||||||||||||||
| Molecular Weight |
473.57
|
||||||||||||||||||
| Canonical SMILES |
OC(CNCCNC(=O)Nc1ccccc1O)COc1ccc(OCCOC2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35N3O6/c29-19(17-26-13-14-27-25(31)28-23-7-3-4-8-24(23)30)18-34-22-11-9-21(10-12-22)33-16-15-32-20-5-1-2-6-20/h3-4,7-12,19-20,26,29-30H,1-2,5-6,13-18H2,(H2,27,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YRVBRQOFNBXMBI-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
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor