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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3140030
CHEMBL3140030
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H24NO4

Additional synonyms for CHEMBL3140030 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[N+]1(C)[C@@H]2C[C@@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](C ...
Download SMILES
Standard InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22 ...
Download InChI
Standard InChI Key LZCOQTDXKCNBEE-RGGMIXCSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3140030

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
318.4 318.1705 -0.53 5 59.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -2.41 -2.41 1 23 0.59

Structural Alerts

There are 9 structural alerts for CHEMBL3140030. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LZCOQTDXKCNBEE-RGGMIXCSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3140030




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