General Information of the Compound
| Compound ID |
CP0861032
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)propyl)-1,2,4-trimethyl-5-phenyl-1H-pyrrole-3-carboxamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31Cl3N4O
|
||||||||||||||||||
| Molecular Weight |
521.92
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n(C)c1-c1ccccc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30Cl2N4O.ClH/c1-18-23(19(2)30(3)25(18)20-8-5-4-6-9-20)26(33)29-12-13-31-14-16-32(17-15-31)22-11-7-10-21(27)24(22)28;/h4-11H,12-17H2,1-3H3,(H,29,33);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZRSGNWBZNUVUML-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