General Information of the Compound
Compound ID
CP0393193
Compound Name
4-bromo-2-(2H-tetrazol-5-yl)aniline
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Structure
Formula
C7H6BrN5
Molecular Weight
240.064
Canonical SMILES
Nc1ccc(Br)cc1-c1nnn[nH]1
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InChI
InChI=1S/C7H6BrN5/c8-4-1-2-6(9)5(3-4)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
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InChIKey
CATSHJCKVONEFX-UHFFFAOYSA-N
Physicochemical Property
logP
1.2114
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
80.48
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
13

"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: 10868388
SID: 15913046
ChEMBL ID
CHEMBL4161599
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: PT03308, G-protein coupled receptor 35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  2
1
EC50 = 44060 nM
   TI
   LI
   LO
   TS
2
IC50 = 75340 nM
   TI
   LI
   LO
   TS