ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL359643
CHEMBL359643
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H32N4O6S

Additional synonyms for CHEMBL359643 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(N1C=CN=C(NCCCOC)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2cccc ...
Download SMILES
Standard InChI InChI=1S/C24H32N4O6S/c1-3-19(28-12-11-26-22(24(28)33)25-10-7 ...
Download InChI
Standard InChI Key HIBILFREOVFCHQ-OYKVQYDMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL359643

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
504.6 504.2043 -0.07 16 162.69 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 1 10 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.06 2.02 1.7 -1.57 1 35 0.26

Structural Alerts

There are 5 structural alerts for CHEMBL359643. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HIBILFREOVFCHQ-OYKVQYDMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL359643



BindingDB 50160988
IBM Patent System D9C110FB6F1ACFEA2822D1D0E6389103
PubChem 9892350
PubChem: Thomson Pharma 14860103

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