General Information of the Compound
| Compound ID |
CP0538246
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-5-oxo-N-[[4-[(4-sulfamoylphenyl)methoxy]phenyl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26F3N3O5S
|
||||||||||||||||||
| Molecular Weight |
561.582
|
||||||||||||||||||
| Canonical SMILES |
NS(=O)(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(cc3)C(F)(F)F)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26F3N3O5S/c28-27(29,30)21-7-1-19(2-8-21)16-33-24(13-14-25(33)34)26(35)32-15-18-3-9-22(10-4-18)38-17-20-5-11-23(12-6-20)39(31,36)37/h1-12,24H,13-17H2,(H,32,35)(H2,31,36,37)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIUJCNPGSVRJCJ-DEOSSOPVSA-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