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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1572150
CHEMBL1572150
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H14N4O4S

Additional synonyms for CHEMBL1572150 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NNC(=O)CNC(=O)CNS(=O)(=O)c1ccccc1
Standard InChI InChI=1S/C10H14N4O4S/c11-14-10(16)6-12-9(15)7-13-19(17,18)8- ...
Download InChI
Standard InChI Key ZWXBSVIDYIWCGN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1572150

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
286.3 286.0736 -1.93 6 130.39 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 8 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.1 2.82 -1.91 -1.94 1 19 0.27

Structural Alerts

There are 9 structural alerts for CHEMBL1572150. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZWXBSVIDYIWCGN-UHFFFAOYSA-N
PubChem SID: 24801417

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1572150



BindingDB 63506
eMolecules 1199148
Mcule MCULE-8120939727
PubChem 3101214
ZINC ZINC000003061443

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