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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1530166
CHEMBL1530166
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H15N3OS

Additional synonyms for CHEMBL1530166 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1c(SCc2ccccc2)nnc1c3ccc(O)cc3
Standard InChI InChI=1S/C16H15N3OS/c1-19-15(13-7-9-14(20)10-8-13)17-18-16(1 ...
Download InChI
Standard InChI Key GISVXBSFZMKOTI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1530166

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
297.4 297.0936 3.48 4 50.94 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.4 1.74 3.01 2.96 3 21 0.75

Structural Alerts

There are no structural alerts for CHEMBL1530166

Compound Cross References

ChemSpider ChemSpider:GISVXBSFZMKOTI-UHFFFAOYSA-N
PubChem SID: 47202829

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1530166



eMolecules 6465499
IBM Patent System 3F9E013A64756CBA05F4E6766092D7C7
Mcule MCULE-1454176331
SureChEMBL SCHEMBL6408038
ZINC ZINC000017971924

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