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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL70705
CHEMBL70705
Compound Name
ChEMBL Synonyms RPR239497
Max Phase 0
Trade Names
Molecular Formula C26H31FN6O3

Additional synonyms for CHEMBL70705 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NC(=O)[C@@]1(C)CO[C@@H](OC1)c2nc(c3ccc(F)cc3)c([nH]2)c4 ...
Download SMILES
Standard InChI InChI=1S/C26H31FN6O3/c1-15(2)30-24(34)26(3)13-35-23(36-14-26 ...
Download InChI
Standard InChI Key BXSBCWWXRCJGDL-OJBMAJLDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL70705

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
494.6 494.2442 4.07 8 114.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.21 3.34 2.58 2.58 3 36 0.43

Structural Alerts

There are 1 structural alerts for CHEMBL70705. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BXSBCWWXRCJGDL-OJBMAJLDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL70705



PubChem: Thomson Pharma 14835374

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