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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1683457
CHEMBL1683457
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H37FN4O4S

Additional synonyms for CHEMBL1683457 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2cc(C)ccc2C)CC1)N(O)C=O ...
Download SMILES
Standard InChI InChI=1S/C26H37FN4O4S/c1-19-5-6-20(2)23(13-19)8-7-22-9-11-30 ...
Download InChI
Standard InChI Key NYJKRUFCTNREQN-LVXARBLLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1683457

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
520.7 520.252 4.01 11 103.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 1 8 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.36 .66 4.93 4.88 2 36 0.27

Structural Alerts

There are 11 structural alerts for CHEMBL1683457. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NYJKRUFCTNREQN-LVXARBLLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1683457



BindingDB 50337727
PubChem 53318912
ZINC ZINC000066074978

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