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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3235052
CHEMBL3235052
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H44N4O5

Additional synonyms for CHEMBL3235052 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c2cc(nn2C)c3ccc(Oc4ccc(OC)cc ...
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Standard InChI InChI=1S/C35H44N4O5/c1-6-9-22-43-34-24-30(42-23-10-21-39(7-2 ...
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Standard InChI Key ODBBTWRXKRXMQW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3235052

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
600.8 600.3312 7.43 17 87.08 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 2 9 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.12 10.18 9.82 7.2 4 44 0.13

Structural Alerts

There are 2 structural alerts for CHEMBL3235052. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ODBBTWRXKRXMQW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3235052



BindingDB 50005632
PubChem 90654927
ZINC ZINC000169312788

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