General Information of the Compound
| Compound ID |
CP0459018
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8598357, 60
Show/Hide
|
||||||||||||||||||
| Formula |
C30H38N2O4
|
||||||||||||||||||
| Molecular Weight |
490.644
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)C1COc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H38N2O4/c33-30(24-18-23-4-1-2-6-27(23)34-19-24)31-25-10-8-21(9-11-25)12-15-32-16-13-22(14-17-32)26-5-3-7-28-29(26)36-20-35-28/h1-7,21-22,24-25H,8-20H2,(H,31,33)/t21-,24?,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGNIYGXERUDUPC-FERRBWLRSA-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