General Information of the Compound
| Compound ID |
CP0398141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[6-[chloro(difluoro)methyl]-2-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28ClF3N4O3S
|
||||||||||||||||||
| Molecular Weight |
533.016
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)Cl)c1ccc(NS(C)(=O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28ClF3N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(24,26)27)13-28-22(32)15(2)16-4-6-19(18(25)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDZSFXWPPAMNQE-UHFFFAOYSA-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