General Information of the Compound
| Compound ID |
CP0903824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-((1-Nicotinoylpiperidin-3-yl)oxy)phenyl)-3-(trifluoromethyl)-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22F3N3O3
|
||||||||||||||||||
| Molecular Weight |
469.463
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cccc(OC2CCCN(C(=O)c3cccnc3)C2)c1)c1cccc(C(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22F3N3O3/c26-25(27,28)19-7-1-5-17(13-19)23(32)30-20-8-2-9-21(14-20)34-22-10-4-12-31(16-22)24(33)18-6-3-11-29-15-18/h1-3,5-9,11,13-15,22H,4,10,12,16H2,(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RRIITQZHHIFMSK-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