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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL381380
CHEMBL381380
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H10F4N4

Additional synonyms for CHEMBL381380 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1c2ccccc2C#N)c3cnc4nc(ccn34)C(F)(F)F
Standard InChI InChI=1S/C20H10F4N4/c21-16-6-5-12(9-15(16)14-4-2-1-3-13(14)1 ...
Download InChI
Standard InChI Key NVETZYIXXYETLA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL381380

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
382.3 382.0842 5.09 2 53.98 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.6 2.6 4 28 0.45

Structural Alerts

There are 1 structural alerts for CHEMBL381380. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NVETZYIXXYETLA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL381380



BindingDB 50180004
PubChem 9970131
PubChem: Thomson Pharma 14947232
SureChEMBL SCHEMBL6216906
ZINC ZINC000013678265

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