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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL117670
CHEMBL117670
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H28F3N3O3

Additional synonyms for CHEMBL117670 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc(C2=C(C)N(Cc3c(F)cccc3F)C(=O)N(C[C@H](N)CC(C)C)C2=O) ...
Download SMILES
Standard InChI InChI=1S/C25H28F3N3O3/c1-14(2)11-16(29)12-31-24(32)22(17-7-5 ...
Download InChI
Standard InChI Key MAXNMKDHPDZTAV-MRXNPFEDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL117670

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
475.5 475.2083 3.83 8 79.25 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.9 5.28 2.88 3 34 0.54

Structural Alerts

There are no structural alerts for CHEMBL117670

Compound Cross References

ChemSpider ChemSpider:MAXNMKDHPDZTAV-MRXNPFEDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL117670



BindingDB 50149269
IBM Patent System 953440B5A0A3F0DAF13C5738E49E768E
PubChem 11236870
PubChem: Thomson Pharma 16320830
SureChEMBL SCHEMBL128054
ZINC ZINC000013580586

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