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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1234429
CHEMBL1234429
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H22F2N4O4

Additional synonyms for CHEMBL1234429 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(CN2C=CC=C(C(=O)N[C@@H](COc3ccc4NC(=O)Nc4c3)c5ccccc5)C ...
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Standard InChI InChI=1S/C28H22F2N4O4/c29-21-10-8-17(13-22(21)30)15-34-12-4- ...
Download InChI
Standard InChI Key GCWCGSPBENFEPE-VWLOTQADSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1234429

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
516.5 516.1609 3.89 8 108.98 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 1 8 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.48 - 2.62 2.62 5 38 0.29

Structural Alerts

There are 2 structural alerts for CHEMBL1234429. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GCWCGSPBENFEPE-VWLOTQADSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1234429



BindingDB 50361645
ChEBI 91373
EPA CompTox Dashboard DTXSID90678515
IBM Patent System A86777DC5E1BA1EFCE1B275528362E0D
LINCS LSM-1081
MolPort MolPort-039-139-771
Nikkaji J3.210.979I
PDBe MP7
PubChem 49766501
PubChem: Thomson Pharma 124342191
SureChEMBL SCHEMBL13306609
ZINC ZINC000058660574

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