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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2012519
CHEMBL2012519
Compound Name
ChEMBL Synonyms L-783277
Max Phase 0
Trade Names
Molecular Formula C19H24O7

Additional synonyms for CHEMBL2012519 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(O)c2C(=O)O[C@@H](C)C\C=C/C(=O)[C@@H](O)[C@@H](O)CCCc2 ...
Download SMILES
Standard InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-1 ...
Download InChI
Standard InChI Key QXPNJMHRUZCEAP-UXBSLASESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2012519

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
364.4 364.1522 2.33 1 113.29 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.57 - 2.43 2.21 1 26 0.66

Structural Alerts

There are 5 structural alerts for CHEMBL2012519. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QXPNJMHRUZCEAP-UXBSLASESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2012519



Nikkaji J2.823.926B J1.780.700E
PubChem 10498988
PubChem: Thomson Pharma 56361061 15523932
SureChEMBL SCHEMBL10187416

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