General Information of the Compound
Compound ID
CP0905429
Compound Name
4-Chloro-3-[(imidazolidin-2-yl)imino]indazole hydrochloride
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Structure
Formula
C10H11Cl2N5
Molecular Weight
272.139
Canonical SMILES
Cl.Clc1cccc2[nH]nc(N=C3NCCN3)c12
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InChI
InChI=1S/C10H10ClN5.ClH/c11-6-2-1-3-7-8(6)9(16-15-7)14-10-12-4-5-13-10;/h1-3H,4-5H2,(H3,12,13,14,15,16);1H
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InChIKey
XDWACKVIRRKDJY-UHFFFAOYSA-N
Physicochemical Property
logP
1.8184
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
65.1
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 53324489
ChEMBL ID
CHEMBL1641681
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 = 240 nM
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