General Information of the Compound
Compound ID
CP0174628
Compound Name
(S)-2-(2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenyl)thiazole
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Structure
Formula
C15H13N3S
Molecular Weight
267.357
Canonical SMILES
C1[C@H](Cn2ccnc12)c1ccccc1-c1nccs1
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InChI
InChI=1S/C15H13N3S/c1-2-4-13(15-17-6-8-19-15)12(3-1)11-9-14-16-5-7-18(14)10-11/h1-8,11H,9-10H2/t11-/m1/s1
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InChIKey
IXNQNKUBBRFMIS-LLVKDONJSA-N
Physicochemical Property
logP
3.3465
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 44574077
ChEMBL ID
CHEMBL468710
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 = 3 nM
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