General Information of the Compound
| Compound ID |
CP0434890
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(3-fluorophenylsulfonyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17FN2O2S
|
||||||||||||||||||
| Molecular Weight |
344.411
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)S(=O)(=O)n1c2CCNCCc2c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17FN2O2S/c19-13-4-3-5-14(12-13)24(22,23)21-17-7-2-1-6-15(17)16-8-10-20-11-9-18(16)21/h1-7,12,20H,8-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NAZUOOFOETYUOC-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