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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL267551
CHEMBL267551
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H12F3N3O2

Additional synonyms for CHEMBL267551 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(C)n1c2cc3nc(O)c(O)nc3cc2C(F)(F)F
Standard InChI InChI=1S/C15H12F3N3O2/c1-7-3-4-8(2)21(7)12-6-11-10(5-9(12)15 ...
Download InChI
Standard InChI Key VHKGDTRVEUWWOE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL267551

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
323.3 323.0882 3.47 1 71.17 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.51 - 4.56 2.52 3 23 0.72

Structural Alerts

There are 2 structural alerts for CHEMBL267551. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VHKGDTRVEUWWOE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL267551



IBM Patent System 66CC47A0B0EE3A09B666F1006F6085E3
PubChem 22097158
SureChEMBL SCHEMBL8607976
ZINC ZINC000000018004

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