General Information of the Compound
| Compound ID |
CP0499198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[1-[(2,6-difluorophenyl)methyl]-6-oxopyridin-3-yl]-2-methylindol-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18F2N2O3
|
||||||||||||||||||
| Molecular Weight |
408.404
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(-c2ccc(=O)n(Cc3c(F)cccc3F)c2)c2ccccc2n1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18F2N2O3/c1-14-23(16-5-2-3-8-20(16)27(14)13-22(29)30)15-9-10-21(28)26(11-15)12-17-18(24)6-4-7-19(17)25/h2-11H,12-13H2,1H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IBDBLBVWQNJKOE-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