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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1683502
CHEMBL1683502
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H30ClF3N4O4S

Additional synonyms for CHEMBL1683502 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CC(C)(Nc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F ...
Download SMILES
Standard InChI InChI=1S/C25H29F3N4O4S.ClH/c1-25(2,24(35)36)31-17-5-3-14(4-6 ...
Download InChI
Standard InChI Key NSEPJDIZVXGYLG-IUCRNYMKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1683502

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
538.6 538.1862 2.86 10 124.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 1 8 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.66 7.28 3.2 .49 2 37 0.34

Structural Alerts

There are 1 structural alerts for CHEMBL1683502. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NSEPJDIZVXGYLG-IUCRNYMKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1683502



PubChem 25054814
PubChem: Thomson Pharma 56391072

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