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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL163454
CHEMBL163454
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H23NO3S

Additional synonyms for CHEMBL163454 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](S)Cc3ccccc3
Standard InChI InChI=1S/C24H23NO3S/c26-23(22(29)16-17-7-3-1-4-8-17)25-21(24 ...
Download InChI
Standard InChI Key BNECOBGISSOLPT-FCHUYYIVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL163454

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
405.5 405.1399 4.01 8 66.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.51 - 4.15 .48 3 29 0.5

Structural Alerts

There are 7 structural alerts for CHEMBL163454. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BNECOBGISSOLPT-FCHUYYIVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL163454



BindingDB 50286724
Guide to Pharmacology 8627
PubChem 44377139
ZINC ZINC000027843717

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