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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3261818
CHEMBL3261818
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H37N3O7

Additional synonyms for CHEMBL3261818 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2C(=O)N(CCCN3CCOCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OCCC ...
Download SMILES
Standard InChI InChI=1S/C32H37N3O7/c1-38-25-19-24-21(16-26(25)40-13-5-9-33- ...
Download InChI
Standard InChI Key LEMAYIHMAVJSAG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3261818

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
575.7 575.2632 3.54 10 91.7 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 0 1 10 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.15 1.34 -1.46 3 42 0.26

Structural Alerts

There are 3 structural alerts for CHEMBL3261818. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LEMAYIHMAVJSAG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3261818



BindingDB 50016168
Brenda 197288
Nikkaji J3.334.866E
PubChem 86765195
SureChEMBL SCHEMBL17183588
ZINC ZINC000169346593

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