General Information of the Compound
Compound ID
CP0412243
Compound Name
1-[(Imidazolidin-2-yl)imino]-7-methylindazole hydrochloride
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Structure
Formula
C11H13N5
Molecular Weight
215.26
Canonical SMILES
Cc1cccc2cnn(N=C3NCCN3)c12
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InChI
InChI=1S/C11H13N5/c1-8-3-2-4-9-7-14-16(10(8)9)15-11-12-5-6-13-11/h2-4,7H,5-6H2,1H3,(H2,12,13,15)
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InChIKey
MRRLJQVNGWKPQF-UHFFFAOYSA-N
Physicochemical Property
logP
0.65662
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
54.24
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 24882019
ChEMBL ID
CHEMBL1186788
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 = 37 nM
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