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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL308003
CHEMBL308003
Compound Name
ChEMBL Synonyms RPR200765A
Max Phase 0
Trade Names
Molecular Formula C25H29FN4O7S

Additional synonyms for CHEMBL308003 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@]1(CO[C@@H](OC1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4)C(=O) ...
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Standard InChI InChI=1S/C24H25FN4O4.CH4O3S/c1-24(23(30)29-10-12-31-13-11-29 ...
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Standard InChI Key HYXPWOSDWIYCSH-QRIJWHNFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL308003

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
452.5 452.186 3.19 4 89.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.75 4.61 .89 .89 3 33 0.65

Structural Alerts

There are 1 structural alerts for CHEMBL308003. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HYXPWOSDWIYCSH-QRIJWHNFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL308003



PubChem: Thomson Pharma 14788152

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