General Information of the Compound
| Compound ID |
CP0410305
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(4-tert-butylphenyl)methyl]-2-[3-cyano-4-(methanesulfonamido)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N3O3S
|
||||||||||||||||||
| Molecular Weight |
413.543
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N3O3S/c1-15(17-8-11-20(18(12-17)13-23)25-29(5,27)28)21(26)24-14-16-6-9-19(10-7-16)22(2,3)4/h6-12,15,25H,14H2,1-5H3,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDDPHDKRBIBEBB-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