General Information of the Compound
| Compound ID |
CP0435903
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H19F4N5O
|
||||||||||||||||||
| Molecular Weight |
469.442
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1C(F)(F)F)-c1ccc(CNC(=O)CCCc2ccc3cccnc3n2)nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H19F4N5O/c25-20-10-7-16(13-19(20)24(26,27)28)21-11-9-18(32-33-21)14-30-22(34)5-1-4-17-8-6-15-3-2-12-29-23(15)31-17/h2-3,6-13H,1,4-5,14H2,(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JZMUHLQNGXIGBL-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