General Information of the Compound
| Compound ID |
CP0497715
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-oxoazepan-1-yl)-N-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
BDBM50088703
CHEMBL12603
RWJ-68157
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H36N4O3
|
||||||||||||||||||
| Molecular Weight |
416.566
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H36N4O3/c1-19(2)30-21-9-6-5-8-20(21)26-16-14-25(15-17-26)13-11-24-22(28)18-27-12-7-3-4-10-23(27)29/h5-6,8-9,19H,3-4,7,10-18H2,1-2H3,(H,24,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHBOWUOETHUEOP-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor
Clinical Information about the Compound