General Information of the Compound
Compound ID
CP0379683
Compound Name
1-[(Imidazolidin-2-yl)imino]indazole hydrochloride
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Structure
Formula
C10H11N5
Molecular Weight
201.233
Canonical SMILES
C1CNC(N1)=Nn1ncc2ccccc12
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InChI
InChI=1S/C10H11N5/c1-2-4-9-8(3-1)7-13-15(9)14-10-11-5-6-12-10/h1-4,7H,5-6H2,(H2,11,12,14)
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InChIKey
PFTFJTOQCWYCNM-UHFFFAOYSA-N
Physicochemical Property
logP
0.3482
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
54.24
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
15

"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: 24882007
ChEMBL ID
CHEMBL1186220
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 160 nM
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