General Information of the Compound
| Compound ID |
CP0851845
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-(4-(3-Chloro-2-methylphenyl)piperazin-1-yl)propyl)-1-(4-fluorophenyl)-5-methyl-2-propyl-1H-imidazole-4-carboxamide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38Cl4FN5O
|
||||||||||||||||||
| Molecular Weight |
621.456
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(F)cc1.Cl.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H35ClFN5O.3ClH/c1-4-7-26-32-27(21(3)35(26)23-12-10-22(30)11-13-23)28(36)31-14-6-15-33-16-18-34(19-17-33)25-9-5-8-24(29)20(25)2;;;/h5,8-13H,4,6-7,14-19H2,1-3H3,(H,31,36);3*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
SRAFZLULPKVDLY-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