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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL308203
CHEMBL308203
Compound Name
ChEMBL Synonyms RPR239939
Max Phase 0
Trade Names
Molecular Formula C26H33FN6O4

Additional synonyms for CHEMBL308203 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCNC(=O)[C@@]1(C)CO[C@@H](OC1)c2nc(c3ccc(F)cc3)c([nH]2)c4cc ...
Download SMILES
Standard InChI InChI=1S/C26H33FN6O4/c1-4-11-28-24(34)26(2)15-36-23(37-16-26 ...
Download InChI
Standard InChI Key KGUYOFKQHDMARG-OJBMAJLDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL308203

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
512.6 512.2547 3.7 11 123.28 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 1 10 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.2 3.25 2.03 2.03 3 37 0.33

Structural Alerts

There are 4 structural alerts for CHEMBL308203. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KGUYOFKQHDMARG-OJBMAJLDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL308203



PubChem: Thomson Pharma 15060612

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