General Information of the Compound
| Compound ID |
CP0469851
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H40N4O
|
||||||||||||||||||
| Molecular Weight |
520.721
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1Cc1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H40N4O/c1-26-12-10-17-32(27(26)2)37-22-20-36(21-23-37)19-11-18-35-34(39)31-24-33(30-15-8-5-9-16-30)38(28(31)3)25-29-13-6-4-7-14-29/h4-10,12-17,24H,11,18-23,25H2,1-3H3,(H,35,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTOTVDSIFQCUNY-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