ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL156313
CHEMBL156313
Compound Name
ChEMBL Synonyms 1H-Naphtho[2,3-D]Imidazole
Max Phase 0
Trade Names
Molecular Formula C11H8N2

Additional synonyms for CHEMBL156313 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2cc3[nH]cnc3cc2c1
Standard InChI InChI=1S/C11H8N2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-7H ...
Download InChI
Standard InChI Key USYCQABRSUEURP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL156313

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
168.2 168.0687 2.72 0 28.68 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.54 5.3 2.5 2.5 3 13 0.55

Structural Alerts

There are 1 structural alerts for CHEMBL156313. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:USYCQABRSUEURP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL156313



ACToR 269-07-8
BindingDB 50404853
EPA CompTox Dashboard DTXSID80181402
IBM Patent System AE1C0E33476BA37D5B6FD17503E49345 59CF0387BA39BB59901EF694F9AB5715
Nikkaji J2.208.800I
PubChem 160449
SureChEMBL SCHEMBL4132133
ZINC ZINC000001477241

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