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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL207891
CHEMBL207891
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H25F3N4O

Additional synonyms for CHEMBL207891 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)c2cccc3[nH]ccc23)C(F)(F)F)C(=O ...
Download SMILES
Standard InChI InChI=1S/C24H25F3N4O/c1-15(2)14-21(23(32)30-13-11-28)31-22(2 ...
Download InChI
Standard InChI Key TVZIAMLRFHJDFH-VXKWHMMOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL207891

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
442.5 442.198 5.08 8 80.71 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.4 2.99 5.15 5.15 3 32 0.43

Structural Alerts

There are 7 structural alerts for CHEMBL207891. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TVZIAMLRFHJDFH-VXKWHMMOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL207891



IBM Patent System 26B9ECEDB2813AD275D10D9E6D26F0C9
PubChem 10310362
PubChem: Thomson Pharma 15318095
SureChEMBL SCHEMBL2155699
ZINC ZINC000034804736

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