General Information of the Compound
| Compound ID |
CP0923410
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)-2-hydroxypropyl)-1-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H38Cl2FN5O2
|
||||||||||||||||||
| Molecular Weight |
614.593
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(N2CCN(CC(O)CNC(=O)c3nc(-c4ccccc4)n(-c4ccc(F)cc4)c3C)CC2)c1C.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36FN5O2.2ClH/c1-22-8-7-11-29(23(22)2)37-18-16-36(17-19-37)21-28(39)20-34-32(40)30-24(3)38(27-14-12-26(33)13-15-27)31(35-30)25-9-5-4-6-10-25;;/h4-15,28,39H,16-21H2,1-3H3,(H,34,40);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
SPADXPJNKDBNNJ-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