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Compound Report Card

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ChEMBL Loading... EBI > Databases > Chemical Biology > ChEMBL Database

Compound Report Card

ID: Name: Max Phase: Molecular Formula: Molecular Weight: ChEMBL Synonyms: Trade Names: Molecule Type:

Molfile:

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Canonical SMILES: Standard InChI: Standard InChI Key: Molfile:

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Canonical SMILES: Standard InChI: Standard InChI Key:

No records were found. However, we found the following similar results:
No records were found.
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      No records were found. However, we found the following similar results:
      No records were found.
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      Bioactivity Summary

      Assay Summary

      Target Summary

      The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL25. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the green coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.

      1uM


        10uM


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          • Mol. Weight:
          • MW. Monoisotopic:
          • ALogP:
          • #Rotatable Bonds:
          • Polar Surface Area:
          • Molecular Species:
          • HBA:
          • HDB:
          • #Ro5 Violations:
          • HBA (Lipinski):
          • HBD (Lipinski):
          • #Ro5 Violations (Lipinski):
          • ACD Acidic pKa:
          • ACD Basic pKa:
          • #ACD LogP:
          • ACD LogD pH7.4:
          • Aromatic Rings:
          • Heavy Atoms:
          • QED Weighted:





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