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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3261814
CHEMBL3261814
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H35N3O7

Additional synonyms for CHEMBL3261814 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNCCCOc1cc2C3=C(N(CCCN4CCOCC4)C(=O)c2cc1OC)c5cc6OCOc6cc5C3= ...
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Standard InChI InChI=1S/C30H35N3O7/c1-3-31-6-4-11-38-24-14-19-22(17-23(24)3 ...
Download InChI
Standard InChI Key QJJGGGVMLBFMTL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3261814

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
549.6 549.2475 3.05 11 100.49 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.13 1.47 -1.32 3 40 0.28

Structural Alerts

There are 5 structural alerts for CHEMBL3261814. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QJJGGGVMLBFMTL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3261814



BindingDB 50016176
Brenda 197286
Nikkaji J3.334.863K
PubChem 86765192
SureChEMBL SCHEMBL17183597
ZINC ZINC000169346589

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