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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1554552
CHEMBL1554552
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H14BrNO4

Additional synonyms for CHEMBL1554552 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(oc2ccc(Br)cc12)C(=O)Nc3ccc4OCCOc4c3
Standard InChI InChI=1S/C18H14BrNO4/c1-10-13-8-11(19)2-4-14(13)24-17(10)18( ...
Download InChI
Standard InChI Key SVWIWWXAHLHLFE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1554552

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
388.2 387.0106 4.53 2 60.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.58 .94 3.04 3.04 3 24 0.7

Structural Alerts

There are 2 structural alerts for CHEMBL1554552. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SVWIWWXAHLHLFE-UHFFFAOYSA-N
PubChem SID: 57264520

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1554552



eMolecules 3271086
Mcule MCULE-3597338645
MolPort MolPort-004-053-146
PubChem 2082890
ZINC ZINC000002621010

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