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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL317840
CHEMBL317840
Compound Name HAEMAPORPHYRIN
ChEMBL Synonyms Haemaporphyrin | Hematoporphyrin
Max Phase 0
Trade Names
Molecular Formula C34H38N4O6

Additional synonyms for CHEMBL317840 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(O)C1=C(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(C)c5CCC(=O)O)C ...
Download SMILES
Standard InChI InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-3 ...
Download InChI
Standard InChI Key KFKRXESVMDBTNQ-AMPAVEGJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL317840

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
598.7 598.2791 6.74 8 172.42 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 6 3 10 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.36 - 3 44 0.17

Structural Alerts

There are 2 structural alerts for CHEMBL317840. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KFKRXESVMDBTNQ-AMPAVEGJSA-N
Wikipedia Hematoporphyrin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL317840



ACToR 136752-88-0
SureChEMBL SCHEMBL1649168

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