General Information of the Compound
| Compound ID |
CP0497140
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-N,2-dimethyl-5-phenyl-1-propylpyrrole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H42N4O
|
||||||||||||||||||
| Molecular Weight |
486.704
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c(C)c(cc1-c1ccccc1)C(=O)N(C)CCCN1CCN(CC1)c1cccc(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H42N4O/c1-6-16-35-26(4)28(23-30(35)27-13-8-7-9-14-27)31(36)32(5)17-11-18-33-19-21-34(22-20-33)29-15-10-12-24(2)25(29)3/h7-10,12-15,23H,6,11,16-22H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEWFOUIWCVNBEV-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter