General Information of the Compound
| Compound ID |
CP0916527
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Methyl-5-phenyl-1-propyl-N-(3-(4-(3-(trifluoromethyl)-phenyl)piperazin-1-yl)propyl)-1H-pyrrole-3-carboxamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H36ClF3N4O
|
||||||||||||||||||
| Molecular Weight |
549.081
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c(-c2ccccc2)cc(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35F3N4O.ClH/c1-3-14-36-22(2)26(21-27(36)23-9-5-4-6-10-23)28(37)33-13-8-15-34-16-18-35(19-17-34)25-12-7-11-24(20-25)29(30,31)32;/h4-7,9-12,20-21H,3,8,13-19H2,1-2H3,(H,33,37);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASOVUEAYNUYTLF-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