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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1783034
CHEMBL1783034
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H21NO5S

Additional synonyms for CHEMBL1783034 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1NC(=O)[C@@H](S1)c2cccc(OCCCOc3ccc(Oc4ccccc4)cc3)c2
Standard InChI InChI=1S/C24H21NO5S/c26-23-22(31-24(27)25-23)17-6-4-9-21(16- ...
Download InChI
Standard InChI Key BTMVNTBNPIYHBM-QFIPXVFZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1783034

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
435.5 435.114 5.35 9 73.86 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 1 6 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.97 - 5.1 3.75 3 31 0.46

Structural Alerts

There are 3 structural alerts for CHEMBL1783034. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BTMVNTBNPIYHBM-QFIPXVFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1783034



PubChem 54581270
ZINC ZINC000013537346

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