General Information of the Compound
| Compound ID |
CP0540063
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H15NO
|
||||||||||||||||||
| Molecular Weight |
189.258
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc2CC3CCCNC3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H15NO/c14-10-4-3-8-6-9-2-1-5-13-12(9)11(8)7-10/h3-4,7,9,12-14H,1-2,5-6H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IYBRRNJPOMRINZ-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
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B