General Information of the Compound
| Compound ID |
CP0851847
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)-2-hydroxypropyl)-5-methyl-1,2-diphenyl-1H-imidazole-4-carboxamide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H39Cl2N5O2
|
||||||||||||||||||
| Molecular Weight |
596.603
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(N2CCN(CC(O)CNC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)c3C)CC2)c1C.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37N5O2.2ClH/c1-23-11-10-16-29(24(23)2)36-19-17-35(18-20-36)22-28(38)21-33-32(39)30-25(3)37(27-14-8-5-9-15-27)31(34-30)26-12-6-4-7-13-26;;/h4-16,28,38H,17-22H2,1-3H3,(H,33,39);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEUMYSDUIYHEAC-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00871, Sodium-dependent serotonin transporter