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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL247378
CHEMBL247378
Compound Name 7-NITROINDAZOLE
ChEMBL Synonyms 7-Nitroindazole
Max Phase 0
Trade Names
Molecular Formula C7H5N3O2

Additional synonyms for CHEMBL247378 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Standard InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8 ...
Download InChI
Standard InChI Key PQCAUHUKTBHUSA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL247378

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
163.1 163.0382 1.47 1 71.82 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.03 - 1.42 1.42 2 12 0.51

Structural Alerts

There are 4 structural alerts for CHEMBL247378. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PQCAUHUKTBHUSA-UHFFFAOYSA-N
PubChem SID: 11111551 SID: 11113328 SID: 26746920 SID: 50103946 SID: 56422885 SID: 855595 SID: 90340658
Wikipedia 7-Nitroindazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL247378



ACToR 2942-42-9
BindingDB 50209245
Brenda 6757
ChemicalBook CB6306238
DrugBank DB02207
eMolecules 592853 32232785
EPA CompTox Dashboard DTXSID30183638
FDA SRS UX0N37CMVH
Guide to Pharmacology 5127
IBM Patent System F889F3135682872CF02C7E287B1EA3D7 C57BDAEF963EBDDD8104FA59A4C517E1
LINCS LSM-5222
Mcule MCULE-3532334406
MolPort MolPort-000-141-465
NIH Clinical Collection SAM001246908
NMRShiftDB 20182477
PDBe 7NI
PubChem 1893
PubChem: Thomson Pharma 14748061
SureChEMBL SCHEMBL216995
ZINC ZINC000006473422

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/PQCAUHUKTBHUSA-UHFFFAOYSA-N spacer
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