General Information of the Compound
| Compound ID |
CP0402435
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-bromo-2-hydroxy-3-(3-(4-((4-methylquinolin-2-yl)methoxy)phenyl)acryloyl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H20BrNO5
|
||||||||||||||||||
| Molecular Weight |
518.363
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(COc2ccc(\C=C\C(=O)c3cc(Br)cc(C(O)=O)c3O)cc2)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H20BrNO5/c1-16-12-19(29-24-5-3-2-4-21(16)24)15-34-20-9-6-17(7-10-20)8-11-25(30)22-13-18(28)14-23(26(22)31)27(32)33/h2-14,31H,15H2,1H3,(H,32,33)/b11-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
LWPWGVBQHXIGMT-DHZHZOJOSA-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