General Information of the Compound
| Compound ID |
CP0400045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27NO2
|
||||||||||||||||||
| Molecular Weight |
385.507
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(ccc1-c1ccccc1)C(=O)N(CC1CCCO1)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27NO2/c1-20-17-23(14-15-25(20)22-11-6-3-7-12-22)26(28)27(19-24-13-8-16-29-24)18-21-9-4-2-5-10-21/h2-7,9-12,14-15,17,24H,8,13,16,18-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FARYFPAIAGOBBI-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: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor