General Information of the Compound
| Compound ID |
CP0405441
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-benzylpiperazin-1-yl)-2-(3,4-dimethoxybenzyl)isoindoline-1,3-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N3O4
|
||||||||||||||||||
| Molecular Weight |
471.557
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccccc5)CC4)c3C2=O)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N3O4/c1-34-24-12-11-21(17-25(24)35-2)19-31-27(32)22-9-6-10-23(26(22)28(31)33)30-15-13-29(14-16-30)18-20-7-4-3-5-8-20/h3-12,17H,13-16,18-19H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FARHQDUFBHCIDC-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: PT03174, Urotensin-2 receptor
Protein ID: PT02463, Urotensin-2 receptor