General Information of the Compound
| Compound ID |
CP0910744
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)propyl)-1-(4-methoxyphenyl)-2,5-dimethyl-1H-imidazole-4-carboxamide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35Cl6N5O2
|
||||||||||||||||||
| Molecular Weight |
662.317
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(-n2c(C)nc(C(=O)NCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c2C)cc1.Cl.Cl.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31Cl2N5O2.4ClH/c1-18-25(30-19(2)33(18)20-8-10-21(35-3)11-9-20)26(34)29-12-5-13-31-14-16-32(17-15-31)23-7-4-6-22(27)24(23)28;;;;/h4,6-11H,5,12-17H2,1-3H3,(H,29,34);4*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
BVDBGMCXMCRRIP-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