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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1719769
CHEMBL1719769
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H27N5O4S

Additional synonyms for CHEMBL1719769 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cnc(C)cn3)ccc2N4CCCCC4)cc1
Standard InChI InChI=1S/C24H27N5O4S/c1-17-15-26-21(16-25-17)24(30)27-19-8-1 ...
Download InChI
Standard InChI Key XICLFKYFNHARNJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1719769

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
481.6 481.1784 3.84 7 113.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.26 3.36 4.05 4.05 3 34 0.53

Structural Alerts

There are 2 structural alerts for CHEMBL1719769. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XICLFKYFNHARNJ-UHFFFAOYSA-N
PubChem SID: 22410756

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1719769



eMolecules 3120323
Mcule MCULE-2659013939
MolPort MolPort-004-262-451
PubChem 4179887
ZINC ZINC000008686581

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