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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL300172
CHEMBL300172
Compound Name CHRYSAMINE G
ChEMBL Synonyms Chrysamine-G | Chrysamine G
Max Phase 0
Trade Names
Molecular Formula C26H18N4O6

Additional synonyms for CHEMBL300172 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4ccc(O)c(c4)C(=O ...
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Standard InChI InChI=1S/C26H18N4O6/c31-23-11-9-19(13-21(23)25(33)34)29-27-1 ...
Download InChI
Standard InChI Key XFFSCOOTVXBLCK-QAVVBOBSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL300172

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
482.5 482.1226 6.99 7 164.5 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 1 10 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.71 - 7.13 2.98 4 36 0.21

Structural Alerts

There are 9 structural alerts for CHEMBL300172. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XFFSCOOTVXBLCK-QAVVBOBSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL300172



Nikkaji J1.933.543G
PubChem: Thomson Pharma 14859133
SureChEMBL SCHEMBL7706036
ZINC ZINC000012403124

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