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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL251834
CHEMBL251834
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H27N5O2S

Additional synonyms for CHEMBL251834 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c4nsc5ccccc45)cc12)c6oncc6
Standard InChI InChI=1S/C26H27N5O2S/c32-26(23-9-11-27-33-23)28-22-8-7-19-6- ...
Download InChI
Standard InChI Key LHFRREYTABIJEO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL251834

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
473.6 473.1885 4.07 6 74.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.91 8.41 2.45 1.61 4 34 0.46

Structural Alerts

There are no structural alerts for CHEMBL251834

Compound Cross References

ChemSpider ChemSpider:LHFRREYTABIJEO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL251834



BindingDB 50231445
PubChem 44447059

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