General Information of the Compound
| Compound ID |
CP0441543
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8598357, 13
Show/Hide
|
||||||||||||||||||
| Formula |
C23H34N2O4
|
||||||||||||||||||
| Molecular Weight |
402.535
|
||||||||||||||||||
| Canonical SMILES |
COCC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H34N2O4/c1-27-15-22(26)24-19-7-5-17(6-8-19)9-12-25-13-10-18(11-14-25)20-3-2-4-21-23(20)29-16-28-21/h2-4,17-19H,5-16H2,1H3,(H,24,26)/t17-,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
GOGFNQYGVYCYHI-UAPYVXQJSA-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