General Information of the Compound
| Compound ID |
CP0871158
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)propyl)-1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazole-4-carboxamide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H36Cl2FN5O
|
||||||||||||||||||
| Molecular Weight |
536.523
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(N2CCN(CCCNC(=O)c3nc(C)n(-c4ccc(F)cc4)c3C)CC2)c1C.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34FN5O.2ClH/c1-19-7-5-8-25(20(19)2)32-17-15-31(16-18-32)14-6-13-29-27(34)26-21(3)33(22(4)30-26)24-11-9-23(28)10-12-24;;/h5,7-12H,6,13-18H2,1-4H3,(H,29,34);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
OEVPCXMTWJIQHA-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