General Information of the Compound
| Compound ID |
CP0470995
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[[2-(3-fluorophenyl)cyclopropyl]methyl-propylamino]butyl]-4-pyridin-2-ylbenzamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35ClFN3O
|
||||||||||||||||||
| Molecular Weight |
496.07
|
||||||||||||||||||
| Canonical SMILES |
Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34FN3O.ClH/c1-2-17-33(21-25-20-27(25)24-8-7-9-26(30)19-24)18-6-5-16-32-29(34)23-13-11-22(12-14-23)28-10-3-4-15-31-28;/h3-4,7-15,19,25,27H,2,5-6,16-18,20-21H2,1H3,(H,32,34);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQZJZNZEYCNJGG-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor