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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1523434
CHEMBL1523434
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15NO3S

Additional synonyms for CHEMBL1523434 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=S(=O)(N(CC1CO1)c2ccccc2)c3ccccc3
Standard InChI InChI=1S/C15H15NO3S/c17-20(18,15-9-5-2-6-10-15)16(11-14-12-1 ...
Download InChI
Standard InChI Key KXVMOKANHHXLSB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1523434

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
289.4 289.0773 2.28 5 49.91 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .7 .7 2 20 0.79

Structural Alerts

There are 9 structural alerts for CHEMBL1523434. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KXVMOKANHHXLSB-UHFFFAOYSA-N
PubChem SID: 24803268

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1523434



ACToR 81879-95-0
eMolecules 1345177
PubChem 190056

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