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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3235374
CHEMBL3235374
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H41F3N4O4

Additional synonyms for CHEMBL3235374 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c2cc(nn2C)c3ccc(Oc4ccc(cc4)C ...
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Standard InChI InChI=1S/C35H41F3N4O4/c1-5-8-21-45-33-23-29(44-22-9-20-42(6- ...
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Standard InChI Key BPFIWOZDVMGAQI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3235374

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
638.7 638.308 8.44 16 77.85 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 2 8 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.1 10.18 10.23 7.61 4 46 0.12

Structural Alerts

There are 2 structural alerts for CHEMBL3235374. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BPFIWOZDVMGAQI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3235374



BindingDB 50005633
PubChem 86765239
ZINC ZINC000169308191

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