General Information of the Compound
| Compound ID |
CP0403425
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1H-imidazol-1-yl)-N-(4-(4-(5-methoxybenzo[d]isoxazol-3-yl)piperazin-1-yl)butyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N6O3
|
||||||||||||||||||
| Molecular Weight |
474.565
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2onc(N3CCN(CCCCNC(=O)c4cccc(c4)-n4ccnc4)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N6O3/c1-34-22-7-8-24-23(18-22)25(29-35-24)31-15-13-30(14-16-31)11-3-2-9-28-26(33)20-5-4-6-21(17-20)32-12-10-27-19-32/h4-8,10,12,17-19H,2-3,9,11,13-16H2,1H3,(H,28,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSIFTTPUSXNYII-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor