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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL505177
CHEMBL505177
Compound Name SCYTONEMIN
ChEMBL Synonyms Scytonemin
Max Phase 0
Trade Names
Molecular Formula C36H22N2O4

Additional synonyms for CHEMBL505177 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(\C=C/2\C(=O)C(=C3C2=Nc4ccccc34)C5=C6C(Nc7ccccc67)\C(= ...
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Standard InChI InChI=1S/C36H22N2O4/c39-21-13-9-19(10-14-21)17-25-33-29(23-5 ...
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Standard InChI Key FPGLJBDFRLADTG-RPCRKUJJSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL505177

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
546.6 546.158 6.2 3 98.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 2 6 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.89 1.39 7.22 7.2 4 42 0.27

Structural Alerts

There are 4 structural alerts for CHEMBL505177. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FPGLJBDFRLADTG-RPCRKUJJSA-N
Wikipedia Scytonemin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL505177



BindingDB 50383081

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