General Information of the Compound
| Compound ID |
CP0507080
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21ClFN3O
|
||||||||||||||||||
| Molecular Weight |
433.914
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1Cl)-c1ccc(CNC(=O)CCCc2ccc3cccnc3n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21ClFN3O/c26-22-15-20(11-13-23(22)27)18-8-6-17(7-9-18)16-29-24(31)5-1-4-21-12-10-19-3-2-14-28-25(19)30-21/h2-3,6-15H,1,4-5,16H2,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VDJXCHYCBZSTRL-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