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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL381055
CHEMBL381055
Compound Name
ChEMBL Synonyms ADX-47273
Max Phase 0
Trade Names
Molecular Formula C20H17F2N3O2

Additional synonyms for CHEMBL381055 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)C(=O)N2CCC[C@@H](C2)c3onc(n3)c4ccc(F)cc4
Standard InChI InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18 ...
Download InChI
Standard InChI Key VXQCCZHCFBHTTD-HNNXBMFYSA-N

Structural Alerts

There are no structural alerts for CHEMBL381055

Alternate Forms of Compound in ChEMBL


CHEMBL381055

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
369.4 369.1289 3.58 3 59.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.64 3.64 3 27 0.71

Compound Cross References

ChemSpider ChemSpider:VXQCCZHCFBHTTD-HNNXBMFYSA-N
Wikipedia ADX-47273

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL381055



BindinDB 50187649
FDA SRS 4C4P7L0W63
Guide to Pharmacology 1420
IBM Patent System 49EF7D8F2DE8A14996A6A078DA477352
IBM Patents EP1685105A1 US7834035 WO2005044797A1 US20070219187
MolPort MolPort-023-219-194
PubChem 11383075
PubChem: Drugs of the Future 99431602
PubChem: Thomson Pharma 16477027
Selleck adx-47273
SureChEMBL SCHEMBL193680
ZINC ZINC09576498

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