General Information of the Compound
| Compound ID |
CP0444222
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methoxy-4-[(5R)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17N3O
|
||||||||||||||||||
| Molecular Weight |
267.332
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1[C@H]1CCCCc2cncn12)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17N3O/c1-20-16-8-12(9-17)6-7-14(16)15-5-3-2-4-13-10-18-11-19(13)15/h6-8,10-11,15H,2-5H2,1H3/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRUHQEXDWYNPOH-OAHLLOKOSA-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