General Information of the Compound
Compound ID
CP0439501
Compound Name
6-(2-(difluoromethoxy)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
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Structure
Formula
C13H12F2N2O
Molecular Weight
250.248
Canonical SMILES
FC(F)Oc1ccccc1C1Cc2nccn2C1
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InChI
InChI=1S/C13H12F2N2O/c14-13(15)18-11-4-2-1-3-10(11)9-7-12-16-5-6-17(12)8-9/h1-6,9,13H,7-8H2
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InChIKey
DCZFXJLVCNQIPP-UHFFFAOYSA-N
Physicochemical Property
logP
2.8244
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
27.05
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
18

"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).

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PubChem ID
CID: 44574987
ChEMBL ID
CHEMBL467915
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 = 11 nM
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