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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL360935
CHEMBL360935
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H27F2N3O3

Additional synonyms for CHEMBL360935 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)c4ccc(Oc ...
Download SMILES
Standard InChI InChI=1S/C32H27F2N3O3/c1-21-30(23-15-17-25(18-16-23)40-24-11 ...
Download InChI
Standard InChI Key QMHHJGXDVINUBR-LJAQVGFWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL360935

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
539.6 539.202 5.8 8 79.25 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.49 6.6 5.49 5 40 0.27

Structural Alerts

There are no structural alerts for CHEMBL360935

Compound Cross References

ChemSpider ChemSpider:QMHHJGXDVINUBR-LJAQVGFWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL360935



BindingDB 50162034
PubChem 11307227
PubChem: Thomson Pharma 16395732
ZINC ZINC000028124676

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