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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1490280
CHEMBL1490280
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15FN2O2

Additional synonyms for CHEMBL1490280 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NC(C1CC1)c2cc(F)c3cccnc3c2O
Standard InChI InChI=1S/C15H15FN2O2/c1-8(19)18-13(9-4-5-9)11-7-12(16)10-3-2 ...
Download InChI
Standard InChI Key ZEHVZFOUJRAJHQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1490280

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
274.3 274.1118 2.67 3 62.22 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.86 9.21 1.16 .26 2 20 0.9

Structural Alerts

There are 1 structural alerts for CHEMBL1490280. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZEHVZFOUJRAJHQ-UHFFFAOYSA-N
PubChem SID: 85146488 SID: 85736384

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1490280



PubChem 44142349

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