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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1276248
CHEMBL1276248
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N2OS

Additional synonyms for CHEMBL1276248 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](Oc1ccccc1c2ccsc2)C3=NCCN3
Standard InChI InChI=1S/C15H16N2OS/c1-11(15-16-7-8-17-15)18-14-5-3-2-4-13(1 ...
Download InChI
Standard InChI Key IAIZHDGEGFGNMO-NSHDSACASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1276248

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
272.4 272.0983 3.18 4 33.62 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.92 3.21 1.33 2 19 0.93

Structural Alerts

There are no structural alerts for CHEMBL1276248

Compound Cross References

ChemSpider ChemSpider:IAIZHDGEGFGNMO-NSHDSACASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1276248



BindingDB 50417349
PubChem 49836305
PubChem: Thomson Pharma 103911986
ZINC ZINC000013585567

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