General Information of the Compound
| Compound ID |
CP0538189
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H39N5O2
|
||||||||||||||||||
| Molecular Weight |
441.62
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Cn1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H39N5O2/c1-17(2)15-30-20(5)24(27-21(30)6)25(32)26-14-22(31)16-28-10-12-29(13-11-28)23-9-7-8-18(3)19(23)4/h7-9,17,22,31H,10-16H2,1-6H3,(H,26,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VRODRHYZYZUMEV-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