General Information of the Compound
| Compound ID |
CP0541644
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21N3O2S
|
||||||||||||||||||
| Molecular Weight |
331.441
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)NCCNC\C=C\c1ccc(cc1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21N3O2S/c1-23(21,22)20-13-12-18-10-2-4-15-6-8-16(9-7-15)17-5-3-11-19-14-17/h2-9,11,14,18,20H,10,12-13H2,1H3/b4-2+
Show/Hide
|
||||||||||||||||||
| InChIKey |
BINVTDDUVXQZJI-DUXPYHPUSA-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