General Information of the Compound
| Compound ID |
CP0511030
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[4-[(E)-N-[[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenyl]methylamino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24F4N2O3
|
||||||||||||||||||
| Molecular Weight |
488.481
|
||||||||||||||||||
| Canonical SMILES |
C\C(=N/OCc1ccc(-c2ccccc2F)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24F4N2O3/c1-17(20-9-6-18(7-10-20)15-31-13-12-25(33)34)32-35-16-19-8-11-21(23(14-19)26(28,29)30)22-4-2-3-5-24(22)27/h2-11,14,31H,12-13,15-16H2,1H3,(H,33,34)/b32-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VMAXWKXWJMMZHO-VTNSRFBWSA-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