General Information of the Compound
| Compound ID |
CP0506623
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL445111
Show/Hide
|
||||||||||||||||||
| Formula |
C29H32N4O
|
||||||||||||||||||
| Molecular Weight |
452.602
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1ccnc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N4O/c30-20-22-5-8-23-13-17-33(18-14-24(23)19-22)16-12-21-6-9-25(10-7-21)32-29(34)27-11-15-31-28-4-2-1-3-26(27)28/h1-5,8,11,15,19,21,25H,6-7,9-10,12-14,16-18H2,(H,32,34)/t21-,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WXWUAAQDRLQFOP-OKDASEJXSA-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 | |||||||||||||||||||
| 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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor