General Information of the Compound
| Compound ID |
CP0524981
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[5-[3-(dimethylamino)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22FN5O2
|
||||||||||||||||||
| Molecular Weight |
383.427
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22FN5O2/c1-26(2)13-5-12-22-20-25-24-19(28-20)14-8-10-15(11-9-14)23-18(27)16-6-3-4-7-17(16)21/h3-4,6-11H,5,12-13H2,1-2H3,(H,22,25)(H,23,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WXOPEGWACKZBCE-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