General Information of the Compound
| Compound ID |
CP0380225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20N2O2
|
||||||||||||||||||
| Molecular Weight |
296.37
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc2CCC(CCc2c1)NCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20N2O2/c21-20(22)18-11-8-15-6-9-17(10-7-16(15)12-18)19-13-14-4-2-1-3-5-14/h1-5,8,11-12,17,19H,6-7,9-10,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKGQZQOSXNTTNI-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