General Information of the Compound
| Compound ID |
CP0373604
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,5-Dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]butan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33NO
|
||||||||||||||||||
| Molecular Weight |
363.545
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C)c(c1)C1CCN(CCCC(=O)c2cc(C)ccc2C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33NO/c1-18-7-9-20(3)23(16-18)22-11-14-26(15-12-22)13-5-6-25(27)24-17-19(2)8-10-21(24)4/h7-10,16-17,22H,5-6,11-15H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPOPFNWPFQDIQV-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
Protein ID: PT01161, D(4) dopamine receptor