General Information of the Compound
Compound ID
CP0875118
Compound Name
7-Chloro-1-((4,5-dihydro-1H-imidazol-2-yl)methyl)-1H-indazole hydrochloride
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Structure
Formula
C11H12Cl2N4
Molecular Weight
271.151
Canonical SMILES
Cl.Clc1cccc2cnn(CC3=NCCN3)c12
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InChI
InChI=1S/C11H11ClN4.ClH/c12-9-3-1-2-8-6-15-16(11(8)9)7-10-13-4-5-14-10;/h1-3,6H,4-5,7H2,(H,13,14);1H
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InChIKey
VWSKPTYMUXHYOT-UHFFFAOYSA-N
Physicochemical Property
logP
2.1132
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
42.21
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 57390125
ChEMBL ID
CHEMBL1928323
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 16600 nM
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