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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1569775
CHEMBL1569775
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13N3OS

Additional synonyms for CHEMBL1569775 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(CSc1nc2ccccc2cc1C#N)NC3CC3
Standard InChI InChI=1S/C15H13N3OS/c16-8-11-7-10-3-1-2-4-13(10)18-15(11)20- ...
Download InChI
Standard InChI Key AMPBYDMILSPYRE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1569775

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
283.4 283.0779 2.53 4 91.08 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.99 - 1.11 1.11 2 20 0.87

Structural Alerts

There are no structural alerts for CHEMBL1569775

Compound Cross References

ChemSpider ChemSpider:AMPBYDMILSPYRE-UHFFFAOYSA-N
PubChem SID: 49733300

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1569775



eMolecules 6654987
PubChem 1433832
ZINC ZINC000001331017

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