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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1301747
CHEMBL1301747
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H12N4O3S

Additional synonyms for CHEMBL1301747 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)c1cccc(c1)C(=O)NNC2=Nc3ccccc3SC2
Standard InChI InChI=1S/C15H12N4O3S/c20-15(10-4-3-5-11(8-10)19(21)22)18-17- ...
Download InChI
Standard InChI Key SEUBULKBJSPKHQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1301747

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
328.4 328.063 2.67 2 96.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.08 4.81 1.92 1.92 2 23 0.65

Structural Alerts

There are 9 structural alerts for CHEMBL1301747. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SEUBULKBJSPKHQ-UHFFFAOYSA-N
PubChem SID: 26728072

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1301747



eMolecules 5841739
Mcule MCULE-7815463670
MolPort MolPort-002-903-336
PubChem 4292992
ZINC ZINC000000160417

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