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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2420616
CHEMBL2420616
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H10F3N5O3

Additional synonyms for CHEMBL2420616 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1N=C(N=C2C(=O)N(C)C(=O)N=C12)c3ccc(OC(F)(F)F)cc3
Standard InChI InChI=1S/C14H10F3N5O3/c1-21-12(23)9-11(19-13(21)24)22(2)20-1 ...
Download InChI
Standard InChI Key XXGVNOZZUWANRD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2420616

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
353.3 353.0736 0.94 2 91.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.19 2.19 1 25 0.68

Structural Alerts

There are no structural alerts for CHEMBL2420616

Compound Cross References

ChemSpider ChemSpider:XXGVNOZZUWANRD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2420616



BindingDB 50438911
PubChem 71817697
ZINC ZINC000096282742

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