General Information of the Compound
| Compound ID |
CP0442183
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-{4-[1-((E)-4-{2-[4-(3-Diethylamino-propoxy)-phenyl]-benzoimidazol-1-yl}-but-2-enyl)-1H-benzoimidazol-2-yl]-phenoxy}-propyl)-diethyl-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C44H54N6O2
|
||||||||||||||||||
| Molecular Weight |
698.956
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C/Cn1c(nc2ccccc12)-c1ccc(OCCCN(CC)CC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C44H54N6O2/c1-5-47(6-2)29-15-33-51-37-25-21-35(22-26-37)43-45-39-17-9-11-19-41(39)49(43)31-13-14-32-50-42-20-12-10-18-40(42)46-44(50)36-23-27-38(28-24-36)52-34-16-30-48(7-3)8-4/h9-14,17-28H,5-8,15-16,29-34H2,1-4H3/b14-13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZCQCONTEBWWMW-YPKPFQOOSA-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