General Information of the Compound
| Compound ID |
CP0488579
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-5-[3-[(2-cyclobutyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20ClNO4S
|
||||||||||||||||||
| Molecular Weight |
465.958
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCC2)c3=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20ClNO4S/c26-22-10-7-17(12-21(22)25(29)30)16-4-1-3-15(11-16)14-31-19-8-9-20-23(13-19)32-27(24(20)28)18-5-2-6-18/h1,3-4,7-13,18H,2,5-6,14H2,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKQGZCVEAKVCCM-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