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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL337319
CHEMBL337319
Compound Name BENZOGUANAMINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H9N5

Additional synonyms for CHEMBL337319 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(N)nc(n1)c2ccccc2
Standard InChI InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H, ...
Download InChI
Standard InChI Key GZVHEAJQGPRDLQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL337319

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
187.2 187.0858 0.7 1 90.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.22 1.36 1.36 2 14 0.69

Structural Alerts

There are 1 structural alerts for CHEMBL337319. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GZVHEAJQGPRDLQ-UHFFFAOYSA-N
PubChem SID: 144208822 SID: 144213286 SID: 26752295 SID: 57269111 SID: 856047

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL337319



ACToR 26676-98-2 91-76-9
ChemicalBook CB2204277
eMolecules 4369427 536957
EPA CompTox Dashboard DTXSID1020142
FDA SRS B9E2Q3VTUB
IBM Patent System 34EB30432C07DE14B006D9BA8F78CA0F
Mcule MCULE-7146103526
MolPort MolPort-002-536-836 MolPort-001-011-862
Nikkaji J4.346J
NMRShiftDB 20096920
PDBe BZE
PubChem 7064
PubChem: Thomson Pharma 15219783
SureChEMBL SCHEMBL27898
ZINC ZINC000004428660

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