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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2310917
CHEMBL2310917
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H28N2O7

Additional synonyms for CHEMBL2310917 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC12C=C[C@@]3(C[C@@H]1N)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4 ...
Download SMILES
Standard InChI InChI=1S/C22H26N2O3.C2H2O4/c1-3-9-24-10-8-21-17-13-4-5-14(25 ...
Download InChI
Standard InChI Key NGKDOQBYXCYXMT-ISQFUXSMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2310917

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
366.5 366.1943 1.88 3 67.95 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.59 8.79 1.55 .17 1 27 0.8

Structural Alerts

There are 3 structural alerts for CHEMBL2310917. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NGKDOQBYXCYXMT-ISQFUXSMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2310917



PubChem 71716688

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