General Information of the Compound
Compound ID
CP0221206
Compound Name
5-Bromo-1H-indazole
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Synonyms
1h-indazole, 5-bromo-
2H-Indazole, 5-bromo-
4-Nitrotrityl chloride
465529-55-9
5- Bromoindazole
5-Bromo-1H-indazole, 97%
5-Bromo-2H-indazole
5-Bromoindazole
5-brom-1h-indazol
5-bromanyl-1H-indazole
5-bromo-1 h-indazole
5-bromo-1H-indazole
5-bromo-1hindazole
5-bromo-azaindole
5-bromo-indazole
5-bromoazaindole
53857-57-1
AC1LFXVY
AC1Q1H9U
ACMC-209lal
AMBZ0279
CHEMBL16425
CTK1G9336
DTXSID50354020
HID1020
KSC269G3N
MLS000088501
MolPort-029-084-055
PubChem15628
SCHEMBL5562
STVHMYNPQCLUNJ-UHFFFAOYSA-N
cid_761929
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Structure
Formula
C7H5BrN2
Molecular Weight
197.035
Canonical SMILES
Brc1ccc2[nH]ncc2c1
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InChI
InChI=1S/C7H5BrN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
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InChIKey
STVHMYNPQCLUNJ-UHFFFAOYSA-N
CAS
53857-57-1
Physicochemical Property
logP
2.3254
Rotatable Bonds
0
Heavy Atom Count
10
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
10

"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: 761929
SID: 17429378
ChEMBL ID
CHEMBL16425
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: PT00973, Methionine aminopeptidase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 37000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-bromo-1H-indazole )
Drug Name 5-bromo-1H-indazole
Target(s)
Nitric-oxide synthase brain (NOS1)
Inhibitor