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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

Structural Alerts

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

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

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
IBM Patent System 2EBAE0A8283B49172BCEDFD3A4A316B8
KEGG Ligand C11369
Nikkaji J356.375H
Patent WO2000018949A2 WO1993013423A1 US5049673 WO1996010090A1 WO2000014515A1 WO1999067639A1 EP0314480B1 WO1998058074A2
PubChem 104978
SureChEMBL SCHEMBL28109

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