ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1173482
CHEMBL1173482
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H16N4O2

Additional synonyms for CHEMBL1173482 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(Nc1ccccc1)Nc2ccc3\C(=C\c4ccc[nH]4)\C(=O)Nc3c2
Standard InChI InChI=1S/C20H16N4O2/c25-19-17(11-14-7-4-10-21-14)16-9-8-15(1 ...
Download InChI
Standard InChI Key BFAFTEXTXVWPSX-BOPFTXTBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1173482

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
344.4 344.1273 2.81 3 86.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.43 .3 4.93 4.93 3 26 0.55

Structural Alerts

There are 3 structural alerts for CHEMBL1173482. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BFAFTEXTXVWPSX-BOPFTXTBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1173482



BindingDB 50321893
Brenda 213523
PubChem 46182735
PubChem: Thomson Pharma 96035988
ZINC ZINC000053299064

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