General Information of the Compound
Compound ID
CP0086900
Compound Name
(S)-N-(2'-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)biphenyl-3-yl)methanesulfonamide
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Structure
Formula
C19H19N3O2S
Molecular Weight
353.447
Canonical SMILES
CS(=O)(=O)Nc1cccc(c1)-c1ccccc1[C@@H]1Cc2nccn2C1
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InChI
InChI=1S/C19H19N3O2S/c1-25(23,24)21-16-6-4-5-14(11-16)17-7-2-3-8-18(17)15-12-19-20-9-10-22(19)13-15/h2-11,15,21H,12-13H2,1H3/t15-/m1/s1
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InChIKey
FKMTZJPWARGCCN-OAHLLOKOSA-N
Physicochemical Property
logP
3.2615
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
63.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 44574104
ChEMBL ID
CHEMBL513871
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 = 4 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 > 10000 nM
   TI
   LI
   LO
   TS