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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1077291
CHEMBL1077291
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H10FN3O2

Additional synonyms for CHEMBL1077291 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O\N=C/1\C(=C/2\C(=O)Nc3ccc(F)cc23)\Nc4ccccc14
Standard InChI InChI=1S/C16H10FN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-1 ...
Download InChI
Standard InChI Key RJIBTAMXAXHIAN-WAVHTBQISA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1077291

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
295.3 295.0757 2.15 0 73.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.32 - 4.39 4.39 2 22 0.4

Structural Alerts

There are 9 structural alerts for CHEMBL1077291. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RJIBTAMXAXHIAN-WAVHTBQISA-N
PubChem SID: 26676136

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1077291



PubChem: Thomson Pharma 16682602
ZINC ZINC000034633957

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