General Information of the Compound
| Compound ID |
CP0412855
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]-1-methylpyrazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16N4
|
||||||||||||||||||
| Molecular Weight |
264.332
|
||||||||||||||||||
| Canonical SMILES |
Cn1nccc1-c1cccc2C(CCc12)c1ncc[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16N4/c1-20-15(7-8-19-20)13-4-2-3-11-12(13)5-6-14(11)16-17-9-10-18-16/h2-4,7-10,14H,5-6H2,1H3,(H,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FYRLXCDBIMGTKV-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor
Protein ID: PT01650, Alpha-2A adrenergic receptor