General Information of the Compound
| Compound ID |
CP0428031
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28F4N4O4S
|
||||||||||||||||||
| Molecular Weight |
532.56
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1C[C@H](C)O[C@H](C)C1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28F4N4O4S/c1-13-11-31(12-14(2)35-13)21-17(6-8-20(29-21)23(25,26)27)10-28-22(32)15(3)16-5-7-19(18(24)9-16)30-36(4,33)34/h5-9,13-15,30H,10-12H2,1-4H3,(H,28,32)/t13-,14+,15?
Show/Hide
|
||||||||||||||||||
| InChIKey |
ISPJCQNIHDMHFL-YIONKMFJSA-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