General Information of the Compound
| Compound ID |
CP0417227
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8586579, 107
Show/Hide
|
||||||||||||||||||
| Formula |
C24H36N4O3
|
||||||||||||||||||
| Molecular Weight |
428.577
|
||||||||||||||||||
| Canonical SMILES |
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ncc(C)c3occc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H36N4O3/c1-18-17-25-24(21-8-16-31-23(18)21)28-13-11-27(12-14-28)10-7-19-3-5-20(6-4-19)26-22(29)9-15-30-2/h8,16-17,19-20H,3-7,9-15H2,1-2H3,(H,26,29)/t19-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
XPRRZXPFKHAHFH-MXVIHJGJSA-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