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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL389974
CHEMBL389974
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14F6N4O

Additional synonyms for CHEMBL389974 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1cc(C#N)c(cc1NC(=O)C2(C)CC(=NN2)C(F)(F)F)C(F)(F)F
Standard InChI InChI=1S/C16H14F6N4O/c1-3-8-4-9(7-23)10(15(17,18)19)5-11(8)2 ...
Download InChI
Standard InChI Key BOVHHDLOWQJHGE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL389974

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
392.3 392.1072 3.75 3 77.28 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.1 .3 2.58 2.58 1 27 0.77

Structural Alerts

There are 1 structural alerts for CHEMBL389974. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BOVHHDLOWQJHGE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL389974



PubChem 16756634
PubChem: Thomson Pharma 26745505
SureChEMBL SCHEMBL204664

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