General Information of the Compound
| Compound ID |
CP0408056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-(3-carbamoylphenyl)phenyl] N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N4O4
|
||||||||||||||||||
| Molecular Weight |
502.615
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCYQNPLHYOAPCP-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