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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1967499
CHEMBL1967499
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H14N4O5S

Additional synonyms for CHEMBL1967499 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSC1=Nc2nc(cnc2C(=O)N1)C(O)C(O)C(O)CO
Standard InChI InChI=1S/C11H14N4O5S/c1-21-11-14-9-6(10(20)15-11)12-2-4(13-9 ...
Download InChI
Standard InChI Key QYMVMQNPXMFLEE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1967499

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
314.3 314.0685 -1.82 5 152.45 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 5 0 9 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.27 - -.56 -1.66 2 21 0.32

Structural Alerts

There are no structural alerts for CHEMBL1967499

Compound Cross References

ChemSpider ChemSpider:QYMVMQNPXMFLEE-UHFFFAOYSA-N
PubChem SID: 502711

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1967499



PubChem 5465328

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