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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2030077
CHEMBL2030077
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H24N4O2

Additional synonyms for CHEMBL2030077 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(N1Cc2ccccc2CC1COc3ccc(cc3)n4cncn4)c5cccc6ccccc56
Standard InChI InChI=1S/C29H24N4O2/c34-29(28-11-5-9-21-6-3-4-10-27(21)28)32 ...
Download InChI
Standard InChI Key CEIUCQDRCUESRY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2030077

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
460.5 460.1899 5.07 5 60.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 1 6 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.62 5.07 5.07 5 35 0.37

Structural Alerts

There are no structural alerts for CHEMBL2030077

Compound Cross References

ChemSpider ChemSpider:CEIUCQDRCUESRY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2030077



BindingDB 50383678
PubChem 70696281

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