General Information of the Compound
Compound ID
CP0047550
Compound Name
7-nitro-1H-indazole
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Synonyms
1H-Indazole, 7-nitro-
2942-42-9
2h-indazole,7-nitro-
7- Nitroindazole
7-NI
7-Nitro-1H-indazole
7-Nitroindazole
7-Nitroindazole, &gt
7-Nitroisoindazole
7-nitro-1H-indazole
7-nitro-indazole
7-nitroindazole
7NI
AC1L1CGU
AC1Q1Y3U
ACMC-209h8w
BRN 0006809
BSPBio_003580
CCRIS 3309
CHEMBL247378
EINECS 220-934-4
Lopac-N-7778
Lopac0_000839
MFCD00022789
MLS000028452
NCIOpen2_000477
NSC 72843
Opera_ID_1690
PQCAUHUKTBHUSA-UHFFFAOYSA-N
PubChem14009
SMR000058266
SR-01000075512
Spectrum2_001715
Spectrum3_001980
Tocris-0602
UNII-UX0N37CMVH
UX0N37CMVH
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Structure
Formula
C7H5N3O2
Molecular Weight
163.136
Canonical SMILES
[O-][N+](=O)c1cccc2cn[nH]c12
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InChI
InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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InChIKey
PQCAUHUKTBHUSA-UHFFFAOYSA-N
CAS
2942-42-9
Physicochemical Property
logP
1.4711
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
71.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
12

"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: 1893
SID: 14748061
ChEMBL ID
CHEMBL247378
DrugBank ID
DB02207
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 461.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 7-nitro-1H-indazole )
Drug Name 7-nitro-1H-indazole
Target(s)
Nitric-oxide synthase brain (NOS1)
 Target Info 
Inhibitor
Nitric-oxide synthase endothelial (NOS3)
 Target Info 
Inhibitor
Nitric-oxide synthase inducible (NOS2)
 Target Info 
Inhibitor