General Information of the Compound
| Compound ID |
CP0123547
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydrobenzo[h]cinnolin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N3O2
|
||||||||||||||||||
| Molecular Weight |
353.466
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOHLGPHQMURXNY-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
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor