General Information of the Compound
| Compound ID |
CP0493630
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Methyl-5-phenyl-1-propyl-N-(3-(4-(quinolin-8-yl)piperazin-1-yl)propyl)-1H-pyrrole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H37N5O
|
||||||||||||||||||
| Molecular Weight |
495.671
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc2cccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H37N5O/c1-3-17-36-24(2)27(23-29(36)25-10-5-4-6-11-25)31(37)33-16-9-18-34-19-21-35(22-20-34)28-14-7-12-26-13-8-15-32-30(26)28/h4-8,10-15,23H,3,9,16-22H2,1-2H3,(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WYBQEAZJHLUAGT-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