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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1577086
CHEMBL1577086
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H12N4O2S

Additional synonyms for CHEMBL1577086 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1cccc(NC(=O)c2snc3c(O)ncnc23)c1
Standard InChI InChI=1S/C14H12N4O2S/c1-2-8-4-3-5-9(6-8)17-14(20)12-10-11(18 ...
Download InChI
Standard InChI Key YKFOQVDCSMSBQL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1577086

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
300.3 300.0681 2.61 3 88 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.79 6.18 2.89 -.05 3 21 0.78

Structural Alerts

There are no structural alerts for CHEMBL1577086

Compound Cross References

ChemSpider ChemSpider:YKFOQVDCSMSBQL-UHFFFAOYSA-N
PubChem SID: 842984

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1577086



PubChem 645262

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