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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3235051
CHEMBL3235051
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H41N5O4

Additional synonyms for CHEMBL3235051 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c2cc(nn2C)c3ccc(Oc4ccccn4)cc ...
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Standard InChI InChI=1S/C33H41N5O4/c1-5-8-21-41-31-23-27(40-22-11-20-38(6-2 ...
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Standard InChI Key UOVGHVMYINGCLQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3235051

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
571.7 571.3159 6.82 16 90.74 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
12.08 10.18 8.31 5.68 4 42 0.15

Structural Alerts

There are 2 structural alerts for CHEMBL3235051. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UOVGHVMYINGCLQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3235051



BindingDB 50005631
PubChem 90654926
ZINC ZINC000169312786

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