General Information of the Compound
| Compound ID |
CP0412016
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]benzonitrile;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30ClN5O3
|
||||||||||||||||||
| Molecular Weight |
532.044
|
||||||||||||||||||
| Canonical SMILES |
Cl.OC(CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1ccccc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29N5O3.ClH/c30-19-22-9-7-8-14-26(22)33-17-15-32(16-18-33)20-25(35)21-34-27(36)29(31-28(34)37,23-10-3-1-4-11-23)24-12-5-2-6-13-24;/h1-14,25,35H,15-18,20-21H2,(H,31,37);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJDIRPALFIZECR-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor