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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2098287
CHEMBL2098287
Compound Name
ChEMBL Synonyms SB-706404
Max Phase 0
Trade Names
Molecular Formula C15H15BrN2OS

Additional synonyms for CHEMBL2098287 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=Nc2ccccc2CN1CC(O)c3cc(Br)cs3
Standard InChI InChI=1S/C15H15BrN2OS/c1-10-17-13-5-3-2-4-11(13)7-18(10)8-14 ...
Download InChI
Standard InChI Key UZIOSLSSSIDBFU-UHFFFAOYSA-N

Sources

  • GSK Tuberculosis Screening

Alternate Forms of Compound in ChEMBL


CHEMBL2098287

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
351.3 350.0088 4.11 3 35.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.21 8.11 3.35 2.4 2 20 0.9

Structural Alerts

There are 2 structural alerts for CHEMBL2098287. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UZIOSLSSSIDBFU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2098287



PubChem 70687238

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