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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3184128
CHEMBL3184128
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C37H34N2Na2O9S3

Additional synonyms for CHEMBL3184128 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC ...
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Standard InChI InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(4 ...
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Standard InChI Key SGHZXLIDFTYFHQ-UHFFFAOYSA-L

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3184128

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
749.9 749.1656 6.05 12 169.36 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 2 11 3 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.97 3.69 -5.54 -6.94 4 51 0.11

Structural Alerts

There are 13 structural alerts for CHEMBL3184128. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SGHZXLIDFTYFHQ-UHFFFAOYSA-L
PubChem SID: 144210834

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3184128



ACToR 3844-45-9 68921-42-6 145087-80-5
ChEBI 82411
ChemicalBook CB8495130
eMolecules 510060
EPA CompTox Dashboard DTXSID2020189
FDA SRS PPQ093M8HR
KEGG Ligand C19352
MolPort MolPort-039-084-357 MolPort-003-933-461
PubChem 58779747 19700
PubChem: Thomson Pharma 14889195
SureChEMBL SCHEMBL124486

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