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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL302524
CHEMBL302524
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H23N3O

Additional synonyms for CHEMBL302524 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N5CCCC5
Standard InChI InChI=1S/C20H23N3O/c1-22-12-14(20(24)23-7-2-3-8-23)9-16-15-5 ...
Download InChI
Standard InChI Key SETDYMMXQQXCRP-RDTXWAMCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL302524

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
321.4 321.1841 2.37 1 39.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.24 1.84 1.56 2 24 0.88

Structural Alerts

There are no structural alerts for CHEMBL302524

Compound Cross References

ChemSpider ChemSpider:SETDYMMXQQXCRP-RDTXWAMCSA-N
Wikipedia LPD-824

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL302524



ACToR 2385-87-7
IBM Patent System 4C4E4AF562AC8B6A1E422A683D6F8CDB
Nikkaji J42.979A
PubChem 200628
SureChEMBL SCHEMBL3185923

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