General Information of the Compound
| Compound ID |
CP0406098
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-(2,4-dichlorophenyl)piperazin-1-yl]propyl]-1,2-dimethyl-5-phenylpyrrole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
485.459
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1ccc(Cl)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30Cl2N4O/c1-19-22(18-25(30(19)2)20-7-4-3-5-8-20)26(33)29-11-6-12-31-13-15-32(16-14-31)24-10-9-21(27)17-23(24)28/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PDPOBDGYEBMUHX-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