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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL29743
CHEMBL29743
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H25F2N7O2

Additional synonyms for CHEMBL29743 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 ...
Download SMILES
Standard InChI InChI=1S/C28H25F2N7O2/c29-21-5-4-19(16-22(21)30)8-11-34-12-1 ...
Download InChI
Standard InChI Key OKLXZLLQLHWOGW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL29743

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
529.5 529.2038 5.48 7 95.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 2 9 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.68 4.56 4.52 5 39 0.2

Structural Alerts

There are 4 structural alerts for CHEMBL29743. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OKLXZLLQLHWOGW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL29743



BindingDB 50140839
PubChem 11249529
PubChem: Thomson Pharma 16334222
ZINC ZINC000028766581

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