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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1720516
CHEMBL1720516
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15NO6

Additional synonyms for CHEMBL1720516 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C1C2CCC(O2)C1C(=O)Nc3ccc(cc3)C(=O)O
Standard InChI InChI=1S/C15H15NO6/c17-13(16-8-3-1-7(2-4-8)14(18)19)11-9-5-6 ...
Download InChI
Standard InChI Key MUEOWMYPHOFAMJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1720516

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
305.3 305.0899 1.2 4 112.93 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.92 - 2.18 -2.56 1 22 0.77

Structural Alerts

There are 1 structural alerts for CHEMBL1720516. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MUEOWMYPHOFAMJ-UHFFFAOYSA-N
PubChem SID: 47199282

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1720516



eMolecules 7931800
Mcule MCULE-7301804468
MolPort MolPort-002-848-944
PubChem 4594917
SureChEMBL SCHEMBL3500228

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