General Information of the Compound
| Compound ID |
CP0449448
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19ClN4O2
|
||||||||||||||||||
| Molecular Weight |
406.873
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(c1)-c1cc(CNC(=O)CCCc2ccc3cccnc3n2)on1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19ClN4O2/c23-17-6-1-4-16(12-17)20-13-19(29-27-20)14-25-21(28)8-2-7-18-10-9-15-5-3-11-24-22(15)26-18/h1,3-6,9-13H,2,7-8,14H2,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PRZAETCRIPFGSL-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