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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2074720
CHEMBL2074720
Compound Name BILIRUBIN MONOGLUCURONIDE
ChEMBL Synonyms Bilirubin monoglucuronide
Max Phase 0
Trade Names
Molecular Formula C39H44N4O12

Additional synonyms for CHEMBL2074720 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=C(C=C)\C(=C\c2[nH]c(Cc3[nH]c(\C=C\4/NC(=O)C(=C4C)C=C)c(C ...
Download SMILES
Standard InChI InChI=1S/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-18(5) ...
Download InChI
Standard InChI Key ARBDURHEPGRPSR-XHVNDKKUSA-N

Sources

  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL2074720

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
760.8 760.2956 1.88 14 260.6 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 9 2 16 9 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.68 2.33 1.31 -3.43 2 55 0.13

Structural Alerts

There are 6 structural alerts for CHEMBL2074720. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ARBDURHEPGRPSR-XHVNDKKUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2074720



BindingDB 50420229
PubChem 70684707

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