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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL252818
CHEMBL252818
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H28N4OS

Additional synonyms for CHEMBL252818 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NC1CCc2ccc(CCN3CCN(CC3)c4nsc5ccccc45)cc12
Standard InChI InChI=1S/C24H28N4OS/c1-17(29)25-22-9-8-19-7-6-18(16-21(19)22 ...
Download InChI
Standard InChI Key ACZCVZUKGWGYJX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL252818

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
420.6 420.1984 3.78 5 48.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.41 2.58 1.74 3 30 0.68

Structural Alerts

There are no structural alerts for CHEMBL252818

Compound Cross References

ChemSpider ChemSpider:ACZCVZUKGWGYJX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL252818



BindingDB 50231459
IBM Patent System E6171984F21891B36F1C7F6689830DC1
PubChem 11384634
PubChem: Thomson Pharma 16478658
SureChEMBL SCHEMBL5396017

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