General Information of the Compound
| Compound ID |
CP0385024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8598357, 59
Show/Hide
|
||||||||||||||||||
| Formula |
C29H36N2O5
|
||||||||||||||||||
| Molecular Weight |
492.616
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1ccc2OCOc2c1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36N2O5/c32-28(17-21-6-9-25-27(16-21)35-18-33-25)30-23-7-4-20(5-8-23)10-13-31-14-11-22(12-15-31)24-2-1-3-26-29(24)36-19-34-26/h1-3,6,9,16,20,22-23H,4-5,7-8,10-15,17-19H2,(H,30,32)/t20-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAMNVKXXPQTQTJ-JKIUYZKVSA-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