General Information of the Compound
| Compound ID |
CP0493115
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Hydroxy-5-methyl-3-{(E)-3-[3-((E)-2-quinolin-2-yl-vinyl)-phenyl]-acryloyl}-benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H21NO4
|
||||||||||||||||||
| Molecular Weight |
435.479
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C(O)=O)c(O)c(c1)C(=O)\C=C\c1cccc(\C=C\c2ccc3ccccc3n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H21NO4/c1-18-15-23(27(31)24(16-18)28(32)33)26(30)14-10-20-6-4-5-19(17-20)9-12-22-13-11-21-7-2-3-8-25(21)29-22/h2-17,31H,1H3,(H,32,33)/b12-9+,14-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZXSJDNSOOGZCG-USTLKGCXSA-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