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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3309545
CHEMBL3309545
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H15ClN2S

Additional synonyms for CHEMBL3309545 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(CN2CCc3c(C2)[nH]c4ccccc34)s1
Standard InChI InChI=1S/C16H15ClN2S/c17-16-6-5-11(20-16)9-19-8-7-13-12-3-1- ...
Download InChI
Standard InChI Key UUOFDWFEZRTCDB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3309545

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
302.8 302.0644 4.44 2 19.03 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.44 3.53 3.21 3 20 0.74

Structural Alerts

There are no structural alerts for CHEMBL3309545

Compound Cross References

ChemSpider ChemSpider:UUOFDWFEZRTCDB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3309545



PubChem 118705922

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