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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL509919
CHEMBL509919
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C36H30Cl2N2O13

Additional synonyms for CHEMBL509919 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(ccc2N(CC(=O)O)CC(=O)O)C3 ...
Download SMILES
Standard InChI InChI=1S/C36H30Cl2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45 ...
Download InChI
Standard InChI Key OZLGRUXZXMRXGP-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL509919

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
769.5 768.1125 4.81 16 220.66 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
15 5 2 15 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.66 6.18 8.51 2.03 3 53 0.12

Structural Alerts

There are 15 structural alerts for CHEMBL509919. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OZLGRUXZXMRXGP-UHFFFAOYSA-N
Wikipedia Fluo-3

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL509919



ACToR 121714-13-4 123632-39-3
ChEBI 5107
eMolecules 31260014
FDA SRS 23D4W0B50Y
IBM Patent System 2EBAE0A8283B49172BCEDFD3A4A316B8
KEGG Ligand C11369
Nikkaji J356.375H
PubChem 104978
SureChEMBL SCHEMBL28109
ZINC ZINC000008295051

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