General Information of the Compound
| Compound ID |
CP0503035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E)-3-[3-chloro-4-(4-hydroxy-3-{tricyclo[3.3.1.0^{3,7}]nonan-3-yl}phenyl)phenyl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23ClO3
|
||||||||||||||||||
| Molecular Weight |
394.898
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC1CC(C2)C3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23ClO3/c25-21-10-14(2-6-23(27)28)1-4-19(21)17-3-5-22(26)20(11-17)24-12-15-7-16(13-24)9-18(24)8-15/h1-6,10-11,15-16,18,26H,7-9,12-13H2,(H,27,28)/b6-2+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJTNQFZAJSEDRX-QHHAFSJGSA-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