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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL220653
CHEMBL220653
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H26N6O2

Additional synonyms for CHEMBL220653 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)C4=Cc5cc(ccc5NC4=O)c6cn[nH]c6 ...
Download SMILES
Standard InChI InChI=1S/C27H26N6O2/c1-17(34)33-8-6-32(7-9-33)16-18-2-4-24-2 ...
Download InChI
Standard InChI Key YZAHMIZAOIVVEF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL220653

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
466.6 466.2117 3.73 4 100.88 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.3 6.54 2.84 2.79 5 35 0.38

Structural Alerts

There are 1 structural alerts for CHEMBL220653. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YZAHMIZAOIVVEF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL220653



BindingDB 50195201
PubChem 44419986
PubChem: Thomson Pharma 99442434
SureChEMBL SCHEMBL5551807
ZINC ZINC000028604269

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