General Information of the Compound
| Compound ID |
CP0879039
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Trifluoromethyl-4'-(3-trifluoromethyl-phenoxymethyl)-biphenyl-3-sulfonic acid [2-(3-fluoro-phenyl)-ethyl]-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H22F7NO3S
|
||||||||||||||||||
| Molecular Weight |
597.552
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(NCCc1cccc(F)c1)c1cc(-c2ccc(COc3cccc(C(F)(F)F)c3)cc2)cc(C(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H22F7NO3S/c30-25-5-1-3-19(13-25)11-12-37-41(38,39)27-15-22(14-24(17-27)29(34,35)36)21-9-7-20(8-10-21)18-40-26-6-2-4-23(16-26)28(31,32)33/h1-10,13-17,37H,11-12,18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGFWNSCXGCZBQH-UHFFFAOYSA-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
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Protein ID: PT01159, Receptor tyrosine-protein kinase erbB-4