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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL215575
CHEMBL215575
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H17FN2O2

Additional synonyms for CHEMBL215575 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1c(C#N)c(c2ccc(cc2)c3ccccc3F)c(C(=O)O)n1C
Standard InChI InChI=1S/C21H17FN2O2/c1-3-18-16(12-23)19(20(21(25)26)24(18)2 ...
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Standard InChI Key ONOQSBGHIPAOLO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL215575

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
348.4 348.1274 4.63 4 66.02 ACID


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
3.68 - 5.24 2.19 3 26 0.75

Structural Alerts

There are no structural alerts for CHEMBL215575

Compound Cross References

ChemSpider ChemSpider:ONOQSBGHIPAOLO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL215575



BindingDB 50191948
PubChem 44417040
SureChEMBL SCHEMBL8289469
ZINC ZINC000038147774

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