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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2032018
CHEMBL2032018
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H24N6O5

Additional synonyms for CHEMBL2032018 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(Oc3ccc(NC(=O)C4=C(N(C)N(C4=O)c5ccccc5)c6cc(C)on6)n ...
Download SMILES
Standard InChI InChI=1S/C30H24N6O5/c1-18-15-24(34-41-18)28-27(30(38)36(35(2 ...
Download InChI
Standard InChI Key BUKHWHCWUHMPKB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2032018

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
548.6 548.1808 5.14 7 126.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 1 2 11 1 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.22 4.84 5.05 5.04 6 41 0.29

Structural Alerts

There are 1 structural alerts for CHEMBL2032018. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BUKHWHCWUHMPKB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2032018



BindingDB 50383194
IBM Patent System C1FC7FD805077471CD9BE768AFF6BDFB
PubChem 11963423
PubChem: Thomson Pharma 17421986
SureChEMBL SCHEMBL199324
ZINC ZINC000084759328

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