General Information of the Compound
| Compound ID |
CP0277136
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8748608, 18
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N4O3
|
||||||||||||||||||
| Molecular Weight |
460.578
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N4O3/c1-34-26-8-3-2-7-25(26)31-18-16-30(17-19-31)20-23(32)13-15-29-27(33)22-11-9-21(10-12-22)24-6-4-5-14-28-24/h2-12,14,23,32H,13,15-20H2,1H3,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YPXXSRYKHFAWBF-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