General Information of the Compound
| Compound ID |
CP0447323
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(5-bromo-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H8BrNO2S2
|
||||||||||||||||||
| Molecular Weight |
318.217
|
||||||||||||||||||
| Canonical SMILES |
CC(Sc1nc2cc(Br)ccc2s1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H8BrNO2S2/c1-5(9(13)14)15-10-12-7-4-6(11)2-3-8(7)16-10/h2-5H,1H3,(H,13,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSRDDWYDZCDJOD-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