General Information of the Compound
| Compound ID |
CP0514912
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-cyano-4-[3-(1,4-diazepan-1-yl)phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H24FN5O3
|
||||||||||||||||||
| Molecular Weight |
497.53
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(F)ccc1-c1cc(-c2cccc(c2)N2CCCNCC2)c(C#N)c(NC(=O)c2ccco2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H24FN5O3/c29-19-7-8-21(25(35)15-19)24-16-22(18-4-1-5-20(14-18)34-11-3-9-31-10-12-34)23(17-30)27(32-24)33-28(36)26-6-2-13-37-26/h1-2,4-8,13-16,31,35H,3,9-12H2,(H,32,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VMMDZAGBASIIIB-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