ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL33663
CHEMBL33663
Compound Name
ChEMBL Synonyms 2-(1-Naphthalenylmethylene) Hydrazinecarboximidamide
Max Phase 0
Trade Names
Molecular Formula C12H12N4

Additional synonyms for CHEMBL33663 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)N\N=C\c1cccc2ccccc12
Standard InChI InChI=1S/C12H12N4/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9) ...
Download InChI
Standard InChI Key NVHWNXLYJMDMAD-OVCLIPMQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL33663

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
212.3 212.1062 1.77 3 74.25 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.67 1.62 1.53 2 16 0.41

Structural Alerts

There are 5 structural alerts for CHEMBL33663. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NVHWNXLYJMDMAD-OVCLIPMQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL33663



ACToR 6928-06-9
EPA CompTox Dashboard DTXSID40422848
MolPort MolPort-020-323-478
PubChem 6364843
PubChem: Thomson Pharma 53781972
SureChEMBL SCHEMBL17560810
ZINC ZINC000016010441

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