General Information of the Compound
| Compound ID |
CP0498897
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-6-methylsulfonyl-1,3-benzothiazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N4O2S3
|
||||||||||||||||||
| Molecular Weight |
432.596
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N4O2S3/c1-28(24,25)15-6-7-16-17(12-15)27-19(23-16)20-9-8-13-2-4-14(5-3-13)22-18-21-10-11-26-18/h2-7,12H,8-11H2,1H3,(H,20,23)(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UNPSEWVRKIDQLW-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