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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1684501
CHEMBL1684501
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H22N4O2

Additional synonyms for CHEMBL1684501 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2cc([nH]c2c1)c3n[nH]c4ccc(NC(=O)C5CCOCC5)cc34
Standard InChI InChI=1S/C22H22N4O2/c1-13-2-3-15-11-20(24-19(15)10-13)21-17- ...
Download InChI
Standard InChI Key SSOTUBJGKHKUND-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1684501

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
374.4 374.1743 4.38 3 82.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.72 1.46 2.49 2.49 4 28 0.5

Structural Alerts

There are no structural alerts for CHEMBL1684501

Compound Cross References

ChemSpider ChemSpider:SSOTUBJGKHKUND-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1684501



BindingDB 50338107
ZINC ZINC000066102282

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