General Information of the Compound
Compound ID
CP0391604
Compound Name
4,6-dibromo-1-(cyclopropylmethyl)benzotriazole
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Structure
Formula
C10H9Br2N3
Molecular Weight
331.011
Canonical SMILES
Brc1cc(Br)c2nnn(CC3CC3)c2c1
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InChI
InChI=1S/C10H9Br2N3/c11-7-3-8(12)10-9(4-7)15(14-13-10)5-6-1-2-6/h3-4,6H,1-2,5H2
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InChIKey
LEFVOGHPRASHNK-UHFFFAOYSA-N
Physicochemical Property
logP
3.3663
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
30.71
Hydrogen Bond Donor Count
0
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: 155513095
ChEMBL ID
CHEMBL4437986
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: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000064 Chem-1 Rattus norvegicus (Rat)  1
1
EC50 = 50 nM
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