General Information of the Compound
| Compound ID |
CP0487757
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-cyano-4-[3-[2-(ethylamino)butanoylamino]phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H26FN5O4
|
||||||||||||||||||
| Molecular Weight |
527.556
|
||||||||||||||||||
| Canonical SMILES |
CCNC(CC)C(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H26FN5O4/c1-3-23(32-4-2)28(37)33-19-8-5-7-17(13-19)21-15-24(20-11-10-18(30)14-25(20)36)34-27(22(21)16-31)35-29(38)26-9-6-12-39-26/h5-15,23,32,36H,3-4H2,1-2H3,(H,33,37)(H,34,35,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVCJOCSUKBWQLN-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