General Information of the Compound
| Compound ID |
CP0497598
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(bis(4-methoxyphenyl)amino)-4-(3-fluorophenyl)pyrimidin-5-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22FN3O4
|
||||||||||||||||||
| Molecular Weight |
459.477
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)N(c1ccc(OC)cc1)c1ncc(CC(O)=O)c(n1)-c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22FN3O4/c1-33-22-10-6-20(7-11-22)30(21-8-12-23(34-2)13-9-21)26-28-16-18(15-24(31)32)25(29-26)17-4-3-5-19(27)14-17/h3-14,16H,15H2,1-2H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKARWJQJJIBBHE-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