General Information of the Compound
| Compound ID |
CP0458490
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[1-[(2,6-difluorophenyl)methyl]-6-oxopyridin-3-yl]-5-fluoro-2-methylindol-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H17F3N2O3
|
||||||||||||||||||
| Molecular Weight |
426.394
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(-c2ccc(=O)n(Cc3c(F)cccc3F)c2)c2cc(F)ccc2n1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H17F3N2O3/c1-13-23(16-9-15(24)6-7-20(16)28(13)12-22(30)31)14-5-8-21(29)27(10-14)11-17-18(25)3-2-4-19(17)26/h2-10H,11-12H2,1H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKCSACASRDWOIB-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