General Information of the Compound
| Compound ID |
CP0539641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8586579, 1
Show/Hide
|
||||||||||||||||||
| Formula |
C21H30N4O2
|
||||||||||||||||||
| Molecular Weight |
370.497
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30N4O2/c1-16(26)23-18-4-2-17(3-5-18)7-10-24-11-13-25(14-12-24)21-19-8-15-27-20(19)6-9-22-21/h6,8-9,15,17-18H,2-5,7,10-14H2,1H3,(H,23,26)/t17-,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWXLNEMDCWELOX-IYARVYRRSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor