General Information of the Compound
| Compound ID |
CP0434200
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N3O4
|
||||||||||||||||||
| Molecular Weight |
409.486
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3cc(OC)ccc3[nH]2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N3O4/c1-28-18-3-5-19(6-4-18)30-14-13-25-9-11-26(12-10-25)23(27)22-16-17-15-20(29-2)7-8-21(17)24-22/h3-8,15-16,24H,9-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QWRGAWDCPBDPDE-UHFFFAOYSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor