General Information of the Compound
| Compound ID |
CP0443001
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{1-[(3-chlorobenzene)sulfonyl]-1H-indol-3-yl}ethan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15ClN2O2S
|
||||||||||||||||||
| Molecular Weight |
334.828
|
||||||||||||||||||
| Canonical SMILES |
NCCc1cn(c2ccccc12)S(=O)(=O)c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15ClN2O2S/c17-13-4-3-5-14(10-13)22(20,21)19-11-12(8-9-18)15-6-1-2-7-16(15)19/h1-7,10-11H,8-9,18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SEAIGDGAJWBDSM-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