General Information of the Compound
| Compound ID |
CP0470176
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[5-tert-butyl-2-[(E)-pent-1-enyl]pyrazol-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H33FN4O3S
|
||||||||||||||||||
| Molecular Weight |
464.607
|
||||||||||||||||||
| Canonical SMILES |
CCC\C=C\n1nc(cc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H33FN4O3S/c1-7-8-9-12-28-18(14-21(26-28)23(3,4)5)15-25-22(29)16(2)17-10-11-20(19(24)13-17)27-32(6,30)31/h9-14,16,27H,7-8,15H2,1-6H3,(H,25,29)/b12-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GUIPIMNJMYAAKS-FMIVXFBMSA-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