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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL320428
CHEMBL320428
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H21NO2

Additional synonyms for CHEMBL320428 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc2CC[C@H]3NCc4ccc(cc4[C@@H]3c2cc1O)c5ccccc5
Standard InChI InChI=1S/C23H21NO2/c25-21-11-16-8-9-20-23(19(16)12-22(21)26) ...
Download InChI
Standard InChI Key RMDMGQSKVJJQEX-NFBKMPQASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL320428

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
343.4 343.1572 4.31 1 52.49 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.04 8.94 4.13 2.62 3 26 0.58

Structural Alerts

There are 2 structural alerts for CHEMBL320428. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RMDMGQSKVJJQEX-NFBKMPQASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL320428



BindingDB 50032519
PubChem 10382833
PubChem: Thomson Pharma 15398025
ZINC ZINC000012356176

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