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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1300304
CHEMBL1300304
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H17N3O3S

Additional synonyms for CHEMBL1300304 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1cnc(SC)nc1NCCOC
Standard InChI InChI=1S/C11H17N3O3S/c1-4-17-10(15)8-7-13-11(18-3)14-9(8)12- ...
Download InChI
Standard InChI Key OBPYZVROYLYZBQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1300304

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
271.3 271.0991 1.43 7 73.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.79 3.25 3.25 1 18 0.35

Structural Alerts

There are 2 structural alerts for CHEMBL1300304. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OBPYZVROYLYZBQ-UHFFFAOYSA-N
PubChem SID: 24819510

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1300304



eMolecules 27495857
MolPort MolPort-002-878-025
PubChem 3833880
SureChEMBL SCHEMBL11157944
ZINC ZINC000005474493

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