General Information of the Compound
| Compound ID |
CP0436777
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(naphthalen-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H22Cl3NO4
|
||||||||||||||||||
| Molecular Weight |
626.923
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccc4ccccc4c3)-c3c(Cl)cccc3Cl)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H22Cl3NO4/c36-29-9-4-10-30(37)32(29)33-28(34(43-39-33)25-14-13-22-6-1-2-7-24(22)18-25)20-42-27-16-15-23(31(38)19-27)12-11-21-5-3-8-26(17-21)35(40)41/h1-19H,20H2,(H,40,41)/b12-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCUWYYXYNMNGTN-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