General Information of the Compound
| Compound ID |
CP0094131
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-6-(2-(pyridin-3-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15N3
|
||||||||||||||||||
| Molecular Weight |
261.328
|
||||||||||||||||||
| Canonical SMILES |
C1[C@H](Cn2ccnc12)c1ccccc1-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15N3/c1-2-6-16(14-10-17-19-8-9-20(17)12-14)15(5-1)13-4-3-7-18-11-13/h1-9,11,14H,10,12H2/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JVQZWPGHLBOWKN-CQSZACIVSA-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