General Information of the Compound
| Compound ID |
CP0444493
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-[(3-oxo-1,2-benzothiazol-2-yl)amino]pentylamino]-1,2-benzothiazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N4O2S2
|
||||||||||||||||||
| Molecular Weight |
400.529
|
||||||||||||||||||
| Canonical SMILES |
O=c1n(NCCCCCNn2sc3ccccc3c2=O)sc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N4O2S2/c24-18-14-8-2-4-10-16(14)26-22(18)20-12-6-1-7-13-21-23-19(25)15-9-3-5-11-17(15)27-23/h2-5,8-11,20-21H,1,6-7,12-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PARNJTDMQCVLCM-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