General Information of the Compound
| Compound ID |
CP0533763
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24N4O2S
|
||||||||||||||||||
| Molecular Weight |
408.527
|
||||||||||||||||||
| Canonical SMILES |
Nc1ccccc1S(=O)(=O)NCCNC\C=C\c1ccc(cc1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N4O2S/c23-21-7-1-2-8-22(21)29(27,28)26-16-15-24-13-3-5-18-9-11-19(12-10-18)20-6-4-14-25-17-20/h1-12,14,17,24,26H,13,15-16,23H2/b5-3+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGHYYLODOFRPEK-HWKANZROSA-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