General Information of the Compound
| Compound ID |
CP0445343
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[4-(4-benzhydryl-1,4-diazepan-1-yl)butyl]-3-phenylprop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H37N3O
|
||||||||||||||||||
| Molecular Weight |
467.657
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCCCCN1CCCN(CC1)C(c1ccccc1)c1ccccc1)\C=C\c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H37N3O/c35-30(20-19-27-13-4-1-5-14-27)32-21-10-11-22-33-23-12-24-34(26-25-33)31(28-15-6-2-7-16-28)29-17-8-3-9-18-29/h1-9,13-20,31H,10-12,21-26H2,(H,32,35)/b20-19+
Show/Hide
|
||||||||||||||||||
| InChIKey |
REVIOUORWMQFEZ-FMQUCBEESA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor