General Information of the Compound
| Compound ID |
CP0969337
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(5,6-difluoro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl)-N-((3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20F3N3O3
|
||||||||||||||||||
| Molecular Weight |
431.414
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(F)c(F)cc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccc(F)cc3)[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20F3N3O3/c1-10-18(25)15(24)8-14-13(6-7-17(30)27-21-16(29)9-26-22(21)31)20(28-19(10)14)11-2-4-12(23)5-3-11/h2-5,8,16,21,28-29H,6-7,9H2,1H3,(H,26,31)(H,27,30)/t16-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTRQAWUYYYUBJU-IERDGZPVSA-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 | |||||||||||||||||||
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