General Information of the Compound
| Compound ID |
CP0406140
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-[(E)-1-(1H-indazol-6-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22N2O2
|
||||||||||||||||||
| Molecular Weight |
394.474
|
||||||||||||||||||
| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2cn[nH]c2c1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22N2O2/c1-2-23(19-6-4-3-5-7-19)26(21-13-14-22-17-27-28-24(22)16-21)20-11-8-18(9-12-20)10-15-25(29)30/h3-17H,2H2,1H3,(H,27,28)(H,29,30)/b15-10+,26-23+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WHDYWBLFKFIPBO-LVMHYTKUSA-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