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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1198924
CHEMBL1198924
Compound Name
ChEMBL Synonyms SYBR Green I
Max Phase 0
Trade Names
Molecular Formula C32H39N4S

Additional synonyms for CHEMBL1198924 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCCN(C)C)C1=CC(Cc2sc3ccccc3[n+]2C)c4ccccc4N1c5ccccc5
Standard InChI InChI=1S/C32H39N4S/c1-5-20-35(22-13-21-33(2)3)31-23-25(24-32 ...
Download InChI
Standard InChI Key XOJOTGJAUPIDAC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1198924

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
511.7 511.2895 7.8 10 41.84 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 2 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.64 2.04 1.05 4 37 0.2

Structural Alerts

There are 2 structural alerts for CHEMBL1198924. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XOJOTGJAUPIDAC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1198924



PubChem 46890305

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