General Information of the Compound
| Compound ID |
CP0488982
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8598357, 3
Show/Hide
|
||||||||||||||||||
| Formula |
C26H38N2O5
|
||||||||||||||||||
| Molecular Weight |
458.599
|
||||||||||||||||||
| Canonical SMILES |
O=C(CC1COCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H38N2O5/c29-25(16-22-17-30-14-15-31-22)27-21-6-4-19(5-7-21)8-11-28-12-9-20(10-13-28)23-2-1-3-24-26(23)33-18-32-24/h1-3,19-22H,4-18H2,(H,27,29)/t19-,21-,22?
Show/Hide
|
||||||||||||||||||
| InChIKey |
CFTKIUKLSZSRGT-LFKXIUMZSA-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