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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL243951
CHEMBL243951
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H26N4S

Additional synonyms for CHEMBL243951 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES S=C(N1CCN(CC1)c2ccccc2)N3N=C(CC3c4ccccc4)c5ccccc5
Standard InChI InChI=1S/C26H26N4S/c31-26(29-18-16-28(17-19-29)23-14-8-3-9-1 ...
Download InChI
Standard InChI Key RNFFFLXJPFAJMW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL243951

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
426.6 426.1878 4.94 3 22.08 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.16 3.83 3.83 3 31 0.55

Structural Alerts

There are 4 structural alerts for CHEMBL243951. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RNFFFLXJPFAJMW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL243951



PubChem 16655362
PubChem: Thomson Pharma 26515138

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