General Information of the Compound
Compound ID
CP0265448
Compound Name
(S)-6-(2-(1-methyl-1H-pyrazol-4-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
    Show/Hide
Structure
Formula
C16H16N4
Molecular Weight
264.332
Canonical SMILES
Cn1cc(cn1)-c1ccccc1[C@@H]1Cc2nccn2C1
    Show/Hide
InChI
InChI=1S/C16H16N4/c1-19-10-13(9-18-19)15-5-3-2-4-14(15)12-8-16-17-6-7-20(16)11-12/h2-7,9-10,12H,8,11H2,1H3/t12-/m1/s1
    Show/Hide
InChIKey
QUSFXAATAPEOAD-GFCCVEGCSA-N
Physicochemical Property
logP
2.6235
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
35.64
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
20

"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
CID: 44574080
ChEMBL ID
CHEMBL508084
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 9 nM
   TI
   LI
   LO
   TS