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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL262101
CHEMBL262101
Compound Name PHTHALOCYANINE
ChEMBL Synonyms Phthalocyanine
Max Phase 0
Trade Names
Molecular Formula C32H18N8

Additional synonyms for CHEMBL262101 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2c(c1)c3nc2nc4[nH]c(nc5nc(nc6[nH]c(n3)c7ccccc67)c8ccccc ...
Download SMILES
Standard InChI InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13- ...
Download InChI
Standard InChI Key IEQIEDJGQAUEQZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL262101

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
514.6 514.1654 6.87 0 108.92 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 2 8 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 9.62 - 7 40 0.23

Structural Alerts

There are no structural alerts for CHEMBL262101

Compound Cross References

ChemSpider ChemSpider:IEQIEDJGQAUEQZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL262101



ChEBI 34921
ChemicalBook CB3258727
DrugBank DB12983
eMolecules 492159
EPA CompTox Dashboard DTXSID9025906
FDA SRS V5PUF4VLGY
IBM Patent System 1A9CCEF14ED3C1C803EE086FF970BF73 27FBC4A8BE29B7D2CD231C256218F5D7
KEGG Ligand C14077
Mcule MCULE-1308737723
MolPort MolPort-000-140-937
Nikkaji J34.511C
PubChem 5282330
PubChem: Thomson Pharma 14933833
SureChEMBL SCHEMBL15816
ZINC ZINC000012358610

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