ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL578512
CHEMBL578512
Compound Name
ChEMBL Synonyms GNF-Pf-67
Max Phase 0
Trade Names
Molecular Formula C7H7N5O2

Additional synonyms for CHEMBL578512 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1N=CN=C2C(=O)N(C)C(=O)N=C12
Standard InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H ...
Download InChI
Standard InChI Key SLGRAIAQIAUZAQ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL578512

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
193.2 193.06 -0.51 0 77.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.83 -.83 0 14 0.52

Structural Alerts

There are no structural alerts for CHEMBL578512

Compound Cross References

ChemSpider ChemSpider:SLGRAIAQIAUZAQ-UHFFFAOYSA-N
PubChem SID: 4251194
Wikipedia Toxoflavin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL578512



ACToR 84-82-2
BindingDB 32102
ChEBI 80729
FDA SRS 5N5YI4IP1P
IBM Patent System DD44665973F58172C5FB0BA02BE93054
KEGG Ligand C16789
Mcule MCULE-5424318031
Nikkaji J4.901H
PDBe TOF
PubChem 66541
PubChem: Thomson Pharma 15017620
SureChEMBL SCHEMBL2260791

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