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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL143027
CHEMBL143027
Compound Name
ChEMBL Synonyms QF-1004B
Max Phase 0
Trade Names
Molecular Formula C21H21FN2O3

Additional synonyms for CHEMBL143027 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc2c(noc2c1)C3CCN(CC4CC(=O)c5ccoc5C4)CC3
Standard InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3 ...
Download InChI
Standard InChI Key RJXYBXCQVVCCAR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL143027

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
368.4 368.1536 4.18 3 59.48 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.1 1.73 .95 3 27 0.69

Structural Alerts

There are 1 structural alerts for CHEMBL143027. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RJXYBXCQVVCCAR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL143027



BindingDB 50409063
Nikkaji J1.474.820B
PubChem 10090424
PubChem: Thomson Pharma 15077542

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