General Information of the Compound
| Compound ID |
CP0434296
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N2O2
|
||||||||||||||||||
| Molecular Weight |
360.457
|
||||||||||||||||||
| Canonical SMILES |
O=C(N(CC1CC1)CC1CCCO1)c1ccc(cc1)-c1ccccc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N2O2/c24-14-20-4-1-2-6-22(20)18-9-11-19(12-10-18)23(26)25(15-17-7-8-17)16-21-5-3-13-27-21/h1-2,4,6,9-12,17,21H,3,5,7-8,13,15-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RCODJHGOJWANAW-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