General Information of the Compound
| Compound ID |
CP0481523
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[6-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-1,3-benzothiazol-4-yl]oxy]furan-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
376.821
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(Oc2cc(Cl)cc3sc(nc23)N2CCC=CC2)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13ClN2O4S/c18-10-8-12(24-14-5-4-11(23-14)16(21)22)15-13(9-10)25-17(19-15)20-6-2-1-3-7-20/h1-2,4-5,8-9H,3,6-7H2,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSNPDRQXKFDJIF-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