General Information of the Compound
| Compound ID |
CP0579492
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24N4O4
|
||||||||||||||||||
| Molecular Weight |
456.502
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)c1cn(C)c2nc(Nc3ccccc3NC(=O)C=C)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24N4O4/c1-5-24(31)28-22-9-7-6-8-21(22)27-23-11-10-19-20(15-30(2)26(19)29-23)25(32)16-12-17(33-3)14-18(13-16)34-4/h5-15H,1H2,2-4H3,(H,27,29)(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTOGOKDZTMAQHM-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