General Information of the Compound
| Compound ID |
CP0540795
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[4-[(E)-N-[[4-(3,4-difluorophenyl)-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenyl]methylamino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23F5N2O3
|
||||||||||||||||||
| Molecular Weight |
506.471
|
||||||||||||||||||
| Canonical SMILES |
C\C(=N/OCc1ccc(-c2ccc(F)c(F)c2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23F5N2O3/c1-16(19-5-2-17(3-6-19)14-32-11-10-25(34)35)33-36-15-18-4-8-21(22(12-18)26(29,30)31)20-7-9-23(27)24(28)13-20/h2-9,12-13,32H,10-11,14-15H2,1H3,(H,34,35)/b33-16+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDFHQZVNMYEPEY-MHDJOFBISA-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