General Information of the Compound
| Compound ID |
CP0407975
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-(2-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid(5-carbamoyl-adamantan-2-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28FN3O4S
|
||||||||||||||||||
| Molecular Weight |
449.548
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)C12CC3CC(C1)C(NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28FN3O4S/c23-16-4-1-2-6-18(16)31(29,30)26-7-3-5-17(26)20(27)25-19-14-8-13-9-15(19)12-22(10-13,11-14)21(24)28/h1-2,4,6,13-15,17,19H,3,5,7-12H2,(H2,24,28)(H,25,27)/t13?,14?,15?,17-,19?,22?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FIYNKWKDUNGCAQ-MLIMNXJRSA-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