General Information of the Compound
| Compound ID |
CP0947392
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[7-cyano-5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxo-pyrrolidin-3-yl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18F2N4O3
|
||||||||||||||||||
| Molecular Weight |
424.407
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1cc(F)cc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccc(F)cc3)[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18F2N4O3/c23-13-3-1-11(2-4-13)19-15(16-8-14(24)7-12(9-25)20(16)28-19)5-6-18(30)27-21-17(29)10-26-22(21)31/h1-4,7-8,17,21,28-29H,5-6,10H2,(H,26,31)(H,27,30)/t17-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XRNSULQUZIZBGE-UTKZUKDTSA-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