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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL558525
CHEMBL558525
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H20ClNOS

Additional synonyms for CHEMBL558525 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CNC[C@H]1C[C@]1(Oc2cccc3ccccc23)c4cccs4
Standard InChI InChI=1S/C19H19NOS.ClH/c1-20-13-15-12-19(15,18-10-5-11-22-18 ...
Download InChI
Standard InChI Key UOLFASMVWNZYMB-AEFICSSHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL558525

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
309.4 309.1187 4.41 5 21.26 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.05 5.06 2.07 3 22 0.75

Structural Alerts

There are no structural alerts for CHEMBL558525

Compound Cross References

ChemSpider ChemSpider:UOLFASMVWNZYMB-AEFICSSHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL558525



PubChem 44474581
PubChem: Thomson Pharma 85755040

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