General Information of the Compound
| Compound ID |
CP0497500
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-tert-Butyl-N-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethyl)-1,2-dimethyl-1H-pyrrole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H38N4O
|
||||||||||||||||||
| Molecular Weight |
410.606
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H38N4O/c1-18-9-8-10-22(19(18)2)29-15-13-28(14-16-29)12-11-26-24(30)21-17-23(25(4,5)6)27(7)20(21)3/h8-10,17H,11-16H2,1-7H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QOTNRKMRALTDAA-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