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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL64875
CHEMBL64875
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H21ClN2S

Additional synonyms for CHEMBL64875 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CC1)[C@@H]2Cc3ccccc3Sc4ccc(Cl)cc24
Standard InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5- ...
Download InChI
Standard InChI Key XRYLGRGAWQSVQW-QGZVFWFLSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL64875

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
344.9 344.1114 4.34 1 6.48 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.9 3.68 2.81 2 23 0.76

Structural Alerts

There are no structural alerts for CHEMBL64875

Compound Cross References

ChemSpider ChemSpider:XRYLGRGAWQSVQW-QGZVFWFLSA-N
PubChem SID: 11111562

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL64875



BindingDB 50007567
FDA SRS 04F30EG8C0
Nikkaji J78.106A
PubChem 6603950
ZINC ZINC000022032760

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