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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL341299
CHEMBL341299
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H31N3O7

Additional synonyms for CHEMBL341299 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1N2CCN(CCCCNC(=O)\C=C\c3occc3)CC2.OC(=O)C(=O)O
Standard InChI InChI=1S/C22H29N3O3.C2H2O4/c1-27-21-9-3-2-8-20(21)25-16-14-2 ...
Download InChI
Standard InChI Key PVXZQJVSEPFFSX-ASTDGNLGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL341299

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
383.5 383.2209 3.02 9 57.95 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.89 3.31 2.88 2 28 0.53

Structural Alerts

There are 5 structural alerts for CHEMBL341299. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PVXZQJVSEPFFSX-ASTDGNLGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL341299



PubChem 44350586

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