General Information of the Compound
| Compound ID |
CP0424879
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-propan-2-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H30FN3O2
|
||||||||||||||||||
| Molecular Weight |
423.532
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(CCCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30FN3O2/c1-18(2)29(25(30)20-7-4-3-5-8-20)14-6-13-28-15-11-19(12-16-28)24-22-10-9-21(26)17-23(22)31-27-24/h3-5,7-10,17-19H,6,11-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYERVAPNBCDTON-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 | |||||||||||||||||||
| 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: PT01005, D(2) dopamine receptor