General Information of the Compound
| Compound ID |
CP0108569
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-chloro-4-((3-((4-chloro-2,6-dimethylphenoxy)methyl)-5-isopropylisoxazol-4-yl)methoxy)styryl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H29Cl2NO5
|
||||||||||||||||||
| Molecular Weight |
566.481
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1onc(COc2c(C)cc(Cl)cc2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29Cl2NO5/c1-18(2)29-26(28(34-39-29)17-38-30-19(3)12-24(32)13-20(30)4)16-37-25-11-10-22(27(33)15-25)9-8-21-6-5-7-23(14-21)31(35)36/h5-15,18H,16-17H2,1-4H3,(H,35,36)/b9-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCSZIGKHCCXOKT-CMDGGOBGSA-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