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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

Structural Alerts

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

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
- 9.62 1.06 -1.74 4 37 0.2

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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