General Information of the Compound
| Compound ID |
CP0294036
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-chloro-4-((3-((2-chloro-6-methylphenoxy)methyl)-5-isopropylisoxazol-4-yl)methoxy)styryl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27Cl2NO5
|
||||||||||||||||||
| Molecular Weight |
552.454
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1onc(COc2c(C)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27Cl2NO5/c1-18(2)28-24(27(33-38-28)17-37-29-19(3)6-4-9-25(29)31)16-36-23-13-12-21(26(32)15-23)11-10-20-7-5-8-22(14-20)30(34)35/h4-15,18H,16-17H2,1-3H3,(H,34,35)/b11-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXUXKJYEKFJQIU-ZHACJKMWSA-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