General Information of the Compound
| Compound ID |
CP0576747
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-methoxy-3,4,5,6-tetrahydro-2H-azepino[4,3-b]indol-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H14N2O2
|
||||||||||||||||||
| Molecular Weight |
230.267
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2[nH]c3CCCNC(=O)c3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H14N2O2/c1-17-8-4-5-10-9(7-8)12-11(15-10)3-2-6-14-13(12)16/h4-5,7,15H,2-3,6H2,1H3,(H,14,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LYVFGKBYWIILST-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 | |||||||||||||||||||
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