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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL436524
CHEMBL436524
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C44H30N4

Additional synonyms for CHEMBL436524 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1=Cc2nc1c(c3C=Cc([nH]3)c(c4ccccc4)c5ccc(n5)c(c6ccccc6)c7ccc ...
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Standard InChI InChI=1S/C44H30N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42( ...
Download InChI
Standard InChI Key YNHJECZULSZAQK-LWQDQPMZSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL436524

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
614.7 614.247 11.24 4 57.36 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.89 7.47 3.05 2.45 7 48 0.21

Structural Alerts

There are 1 structural alerts for CHEMBL436524. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YNHJECZULSZAQK-LWQDQPMZSA-N
PubChem SID: 500006
Wikipedia Tetraphenylporphyrin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL436524



ChEBI 52279
eMolecules 441789
EPA CompTox Dashboard DTXSID2061272
MolPort MolPort-000-140-956
Nikkaji J9.130H
PubChem: Thomson Pharma 14887485
SureChEMBL SCHEMBL30136
ZINC ZINC04689165

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