General Information of the Compound
| Compound ID |
CP0017162
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[5-(benzylamino)-1,3,4-oxadiazol-2-yl]-3H-1,3-benzoxazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12N4O3
|
||||||||||||||||||
| Molecular Weight |
308.297
|
||||||||||||||||||
| Canonical SMILES |
O=c1[nH]c2ccc(cc2o1)-c1nnc(NCc2ccccc2)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12N4O3/c21-16-18-12-7-6-11(8-13(12)22-16)14-19-20-15(23-14)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,20)(H,18,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QQFXWVSCJWDJQH-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