General Information of the Compound
| Compound ID |
CP0486858
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[(E)-2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21N3O3S
|
||||||||||||||||||
| Molecular Weight |
419.506
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(\C=C\c2nc3cc(ccc3[nH]2)-c2ccccc2S(N)(=O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N3O3S/c1-2-29-18-11-7-16(8-12-18)9-14-23-25-20-13-10-17(15-21(20)26-23)19-5-3-4-6-22(19)30(24,27)28/h3-15H,2H2,1H3,(H,25,26)(H2,24,27,28)/b14-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JMQNNKRJCWFHKC-NTEUORMPSA-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