General Information of the Compound
| Compound ID |
CP0191811
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-chloro-4-((5-cyclopentyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)styryl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H24Cl3NO4
|
||||||||||||||||||
| Molecular Weight |
568.884
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C3CCCC3)-c3c(Cl)cccc3Cl)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H24Cl3NO4/c31-24-9-4-10-25(32)27(24)28-23(29(38-34-28)20-6-1-2-7-20)17-37-22-14-13-19(26(33)16-22)12-11-18-5-3-8-21(15-18)30(35)36/h3-5,8-16,20H,1-2,6-7,17H2,(H,35,36)/b12-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZSTXZLSFZKRAF-VAWYXSNFSA-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