General Information of the Compound
| Compound ID |
CP0887642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(4-(3-Methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butoxy)-3,4-dihydro-quinolin-2(1H)-one oxalate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H36N4O7
|
||||||||||||||||||
| Molecular Weight |
552.628
|
||||||||||||||||||
| Canonical SMILES |
CN1CN(c2ccccc2)C2(CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)C1=O.O=C(O)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N4O3.C2H2O4/c1-29-20-31(22-7-3-2-4-8-22)27(26(29)33)13-16-30(17-14-27)15-5-6-18-34-23-11-9-21-10-12-25(32)28-24(21)19-23;3-1(4)2(5)6/h2-4,7-9,11,19H,5-6,10,12-18,20H2,1H3,(H,28,32);(H,3,4)(H,5,6)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXMSXMWVHDQMGM-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