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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1795043
CHEMBL1795043
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C44H56N8O8

Additional synonyms for CHEMBL1795043 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(CCC)c2nc(\C=C/c3ccc(OC)c(OC)c3)n(C)c2C1=O.CCCN4C ...
Download SMILES
Standard InChI InChI=1S/2C22H28N4O4/c2*1-6-12-25-20-19(21(27)26(13-7-2)22(2 ...
Download InChI
Standard InChI Key NLLQBRZWSKFXMQ-SRZMQVAYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1795043

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
825 824.4221 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1795043

Compound Cross References

ChemSpider ChemSpider:NLLQBRZWSKFXMQ-SRZMQVAYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1795043



PubChem 56666074

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