General Information of the Compound
| Compound ID |
CP0509612
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-N-[3-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-(furan-2-carbonylamino)pyridin-4-yl]phenyl]pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22FN5O4
|
||||||||||||||||||
| Molecular Weight |
511.513
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)[C@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22FN5O4/c29-17-8-9-19(24(35)13-17)23-14-20(21(15-30)26(33-23)34-28(37)25-7-3-11-38-25)16-4-1-5-18(12-16)32-27(36)22-6-2-10-31-22/h1,3-5,7-9,11-14,22,31,35H,2,6,10H2,(H,32,36)(H,33,34,37)/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQCSYEQEMDPBSA-JOCHJYFZSA-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