General Information of the Compound
| Compound ID |
CP0415835
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)nicotinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H16F3N5O2
|
||||||||||||||||||
| Molecular Weight |
475.43
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=O)c2cnccc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H16F3N5O2/c26-14-1-3-21(18(27)11-14)33-25(34)17-13-29-8-6-20(17)32-15-2-4-23(19(28)12-15)35-22-7-10-31-24-16(22)5-9-30-24/h1-13H,(H,29,32)(H,30,31)(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWYYKWYJHADYMM-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