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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1572035
CHEMBL1572035
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14FNO2

Additional synonyms for CHEMBL1572035 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(C(=O)Nc1ccccc1F)c2ccccc2
Standard InChI InChI=1S/C15H14FNO2/c1-19-14(11-7-3-2-4-8-11)15(18)17-13-10- ...
Download InChI
Standard InChI Key BABMKLKVPBCNIL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1572035

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
259.3 259.1009 3.15 4 38.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.11 .11 2.43 2.43 2 19 0.92

Structural Alerts

There are no structural alerts for CHEMBL1572035

Compound Cross References

ChemSpider ChemSpider:BABMKLKVPBCNIL-UHFFFAOYSA-N
PubChem SID: 14734395

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1572035



eMolecules 1606693
Mcule MCULE-8172193814
MolPort MolPort-002-086-701
PubChem 2897236

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