ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1683458
CHEMBL1683458
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H36FN5O4S

Additional synonyms for CHEMBL1683458 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)ncc2C)CC1)N(O)C=O ...
Download SMILES
Standard InChI InChI=1S/C25H36FN5O4S/c1-18(24-28-14-23(26)15-29-24)12-25(4, ...
Download InChI
Standard InChI Key SOTNGZPOQMJOPI-BVZFJXPGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1683458

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
521.7 521.2472 3.4 11 116.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 1 9 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.36 7.03 3.34 3.13 2 36 0.27

Structural Alerts

There are 11 structural alerts for CHEMBL1683458. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SOTNGZPOQMJOPI-BVZFJXPGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1683458



BindingDB 50337724
PubChem 53325499
ZINC ZINC000066074979

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