General Information of the Compound
| Compound ID |
CP0543458
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(9-methoxy-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indol-2-yl)-3-morpholin-4-ylpropan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27N3O3
|
||||||||||||||||||
| Molecular Weight |
357.454
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2[nH]c3CCCN(Cc3c2c1)C(=O)CCN1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27N3O3/c1-25-15-4-5-19-16(13-15)17-14-23(7-2-3-18(17)21-19)20(24)6-8-22-9-11-26-12-10-22/h4-5,13,21H,2-3,6-12,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PAFPVIVRAUAKGL-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