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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1574409
CHEMBL1574409
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H15N3O4S

Additional synonyms for CHEMBL1574409 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCOC(=O)CSc1nnc(O)nc1O
Standard InChI InChI=1S/C10H15N3O4S/c1-2-3-4-5-17-7(14)6-18-9-8(15)11-10(16 ...
Download InChI
Standard InChI Key MBEUOYQJKDMOBL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1574409

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
273.3 273.0783 1.11 7 105.43 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.1 9.58 1.85 -1.67 1 18 0.43

Structural Alerts

There are 5 structural alerts for CHEMBL1574409. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MBEUOYQJKDMOBL-UHFFFAOYSA-N
PubChem SID: 14720661

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1574409



eMolecules 30385591 621993
Mcule MCULE-3278158572
MolPort MolPort-000-649-305 MolPort-005-980-392
PubChem 1556011
ZINC ZINC000008671189

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