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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1968670
CHEMBL1968670
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H11ClFNO3

Additional synonyms for CHEMBL1968670 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(CC(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1
Standard InChI InChI=1S/C18H11ClFNO3/c19-15-16(18(24)13-4-2-1-3-12(13)17(15 ...
Download InChI
Standard InChI Key UVROQTTYJPEGDK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1968670

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
343.7 343.0411 3.01 3 63.24 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.56 - 3.04 3.04 2 24 0.93

Structural Alerts

There are 9 structural alerts for CHEMBL1968670. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UVROQTTYJPEGDK-UHFFFAOYSA-N
PubChem SID: 502413

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1968670



Nikkaji J736.047I
PubChem 371175
PubChem: Thomson Pharma 15722525
ZINC ZINC000001629473

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