General Information of the Compound
| Compound ID |
CP0919206
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-methoxyphenyl)-4-{5-[4-(2-methoxyphenyl)hexahydro-1-pyrazinyl]perhydro-2-pentalenyl}hexahydropyrazine oxalic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H44N4O6
|
||||||||||||||||||
| Molecular Weight |
580.726
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(C2CC3CC(N4CCN(c5ccccc5OC)CC4)CC3C2)CC1.O=C(O)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H42N4O2.C2H2O4/c1-35-29-9-5-3-7-27(29)33-15-11-31(12-16-33)25-19-23-21-26(22-24(23)20-25)32-13-17-34(18-14-32)28-8-4-6-10-30(28)36-2;3-1(4)2(5)6/h3-10,23-26H,11-22H2,1-2H3;(H,3,4)(H,5,6)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PARFVJJHJKETMO-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