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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL216645
CHEMBL216645
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H25F3N2O2

Additional synonyms for CHEMBL216645 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)Cc1ccc(NCc2cccc(c2)c3c(Cc4ccccc4)cnc5c(cccc35)C(F)(F)F ...
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Standard InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37 ...
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Standard InChI Key SENBJMMSGVHUDH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL216645

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
526.6 526.1868 7.51 9 62.22 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 2 4 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.57 3.44 6.1 3.31 5 39 0.21

Structural Alerts

There are no structural alerts for CHEMBL216645

Compound Cross References

ChemSpider ChemSpider:SENBJMMSGVHUDH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL216645



BindingDB 20002
IBM Patent System 4B85819D75C123A1AEFD4215578C7C8F
PubChem 16090331
PubChem: Thomson Pharma 24736320
SureChEMBL SCHEMBL4262795
ZINC ZINC000014972496

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