General Information of the Compound
| Compound ID |
CP0518432
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(benzylamino)-1,2-benzothiazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H12N2OS
|
||||||||||||||||||
| Molecular Weight |
256.33
|
||||||||||||||||||
| Canonical SMILES |
O=c1n(NCc2ccccc2)sc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12N2OS/c17-14-12-8-4-5-9-13(12)18-16(14)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCFGJULPEWYMOV-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