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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3235378
CHEMBL3235378
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H43ClN4O5

Additional synonyms for CHEMBL3235378 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c2cc(nn2C)c3ccc(Oc4ccc(Cl)c( ...
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Standard InChI InChI=1S/C35H43ClN4O5/c1-6-9-20-44-34-22-27(43-21-10-19-40(7 ...
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Standard InChI Key GKMSOZOEZOVMAK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3235378

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
635.2 634.2922 8.08 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
12.1 10.18 10.08 7.46 4 45 0.12

Structural Alerts

There are 2 structural alerts for CHEMBL3235378. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GKMSOZOEZOVMAK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3235378



BindingDB 50005635
PubChem 90654928
ZINC ZINC000169308196

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