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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3235375
CHEMBL3235375
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H41FN4O4

Additional synonyms for CHEMBL3235375 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c2cc(nn2C)c3ccc(Oc4ccc(F)cc4 ...
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Standard InChI InChI=1S/C34H41FN4O4/c1-5-8-21-42-33-23-29(41-22-9-20-39(6-2 ...
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Standard InChI Key HRRAPMWPLALIBT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3235375

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
588.7 588.3112 7.56 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
12.16 10.18 9.97 7.35 4 43 0.14

Structural Alerts

There are 2 structural alerts for CHEMBL3235375. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HRRAPMWPLALIBT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3235375



BindingDB 50005634
PubChem 86765240
ZINC ZINC000169308193

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