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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL426783
CHEMBL426783
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H22ClF2N3O2

Additional synonyms for CHEMBL426783 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=C(C(=O)N(C[C@H](N)c2ccccc2)C(=O)N1Cc3c(F)cccc3F)c4ccccc4 ...
Download SMILES
Standard InChI InChI=1S/C26H22ClF2N3O2/c1-16-24(18-10-5-6-11-20(18)27)25(33 ...
Download InChI
Standard InChI Key WSRSSHAEJAAIGD-QHCPKHFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL426783

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
481.9 481.1369 4.67 6 70.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.49 5.13 4.01 4 34 0.44

Structural Alerts

There are no structural alerts for CHEMBL426783

Compound Cross References

ChemSpider ChemSpider:WSRSSHAEJAAIGD-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL426783



BindingDB 50162005
PubChem 11168311
PubChem: Thomson Pharma 16456147
ZINC ZINC000013609632

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