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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL93886
CHEMBL93886
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H30N6O2

Additional synonyms for CHEMBL93886 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCc1nn(c2ccccc2c3ccccc3)c(C(=O)O)c1Cc4ccc(cc4)c5ccccc5c6nn ...
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Standard InChI InChI=1S/C34H30N6O2/c1-2-3-16-30-29(22-23-18-20-25(21-19-23) ...
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Standard InChI Key GFSGCZQJHQAQAG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL93886

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
554.7 554.243 7.02 10 109.58 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 2 8 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.22 .6 9.14 5 6 42 0.19

Structural Alerts

There are no structural alerts for CHEMBL93886

Compound Cross References

ChemSpider ChemSpider:GFSGCZQJHQAQAG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL93886



BindingDB 50042558
Nikkaji J1.185.428A
PubChem 14971710
ZINC ZINC000026656773

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