General Information of the Compound
| Compound ID |
CP0039157
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-chloro-6-((5-(4-chlorophenyl)isoxazol-3-yl)methoxy)benzo[b]thiophen-3-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H13Cl2NO4S
|
||||||||||||||||||
| Molecular Weight |
434.3
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1csc2cc(OCc3cc(on3)-c3ccc(Cl)cc3)cc(Cl)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H13Cl2NO4S/c21-13-3-1-11(2-4-13)17-6-14(23-27-17)9-26-15-7-16(22)20-12(5-19(24)25)10-28-18(20)8-15/h1-4,6-8,10H,5,9H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKBNKZOCKAZLRU-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