General Information of the Compound
| Compound ID |
CP0501401
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(3'-Cyclohexylmethyl-4'-hydroxy-biphenyl-4-yl)-acrylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24O3
|
||||||||||||||||||
| Molecular Weight |
336.431
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(CC2CCCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24O3/c23-21-12-11-19(15-20(21)14-17-4-2-1-3-5-17)18-9-6-16(7-10-18)8-13-22(24)25/h6-13,15,17,23H,1-5,14H2,(H,24,25)/b13-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
BQKDNDWYJPMCIK-MDWZMJQESA-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