General Information of the Compound
Compound ID
CP0070307
Compound Name
(S)-6-(biphenyl-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
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Structure
Formula
C18H16N2
Molecular Weight
260.34
Canonical SMILES
C1[C@H](Cn2ccnc12)c1ccccc1-c1ccccc1
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InChI
InChI=1S/C18H16N2/c1-2-6-14(7-3-1)16-8-4-5-9-17(16)15-12-18-19-10-11-20(18)13-15/h1-11,15H,12-13H2/t15-/m1/s1
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InChIKey
NGKTVUYBFUWABZ-OAHLLOKOSA-N
Physicochemical Property
logP
3.89
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 44574045
ChEMBL ID
CHEMBL512062
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 = 12 nM
   TI
   LI
   LO
   TS
Protein ID: PT01007, Alpha-1B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01004, Alpha-1D adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 729 nM
   TI
   LI
   LO
   TS