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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL20936
CHEMBL20936
Compound Name BENZAMIDINE
ChEMBL Synonyms Benzamidine | Benzamidine Hydrochloride
Max Phase 0
Trade Names
Molecular Formula C7H8N2

Additional synonyms for CHEMBL20936 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)c1ccccc1
Standard InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
Standard InChI Key PXXJHWLDUBFPOL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL20936

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
120.2 120.0687 0.89 1 49.87 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 2 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.6 .89 -1.11 1 9 0.42

Structural Alerts

There are 5 structural alerts for CHEMBL20936. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PXXJHWLDUBFPOL-UHFFFAOYSA-N
PubChem SID: 11110855 SID: 47193746 SID: 90341128
Wikipedia Benzamidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL20936



ACToR 618-39-3
BindingDB 50038002
Brenda 29765 579
ChEBI 41033
eMolecules 479296
EPA CompTox Dashboard DTXSID8045012
FDA SRS KUE3ZY3J1F
Guide to Pharmacology 7566
IBM Patent System F9F9FDEE467E6B8182DC7A7D186D80B9
KEGG Ligand C01784
Mcule MCULE-3828251614
MolPort MolPort-000-001-395
Nikkaji J95.743G
PDBe BEN
PubChem 2332
PubChem: Thomson Pharma 15218879
SureChEMBL SCHEMBL9207
ZINC ZINC000000036634

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