General Information of the Compound
| Compound ID |
CP0968696
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(5,7-difluoro-2-phenyl-1H-indol-3-yl)-2-hydroxy-N-((S)-2-oxopyrrolidin-3-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19F2N3O3
|
||||||||||||||||||
| Molecular Weight |
399.397
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H]1CCNC1=O)[C@H](O)Cc1c(-c2ccccc2)[nH]c2c(F)cc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19F2N3O3/c22-12-8-13-14(10-17(27)21(29)25-16-6-7-24-20(16)28)18(11-4-2-1-3-5-11)26-19(13)15(23)9-12/h1-5,8-9,16-17,26-27H,6-7,10H2,(H,24,28)(H,25,29)/t16-,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMUHOFYXVKMXMO-DLBZAZTESA-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