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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL285343
CHEMBL285343
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H28F2N6O2

Additional synonyms for CHEMBL285343 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)c1cccc2c1c3ncnc(N4CCN(CCc5ccc(F)c(F)c5)CC4)c3n2C ...
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Standard InChI InChI=1S/C30H28F2N6O2/c31-23-10-9-22(19-24(23)32)11-13-35-15 ...
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Standard InChI Key VIMSJHBPSQABPQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL285343

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
542.6 542.2242 6.95 8 83.01 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 2 8 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.7 6.26 6.21 5 40 0.16

Structural Alerts

There are 4 structural alerts for CHEMBL285343. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VIMSJHBPSQABPQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL285343



BindingDB 50140845
PubChem 11261262
PubChem: Thomson Pharma 16346723
SureChEMBL SCHEMBL6923645
ZINC ZINC000028766840

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