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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2315239
CHEMBL2315239
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C43H48F3N9O8S

Additional synonyms for CHEMBL2315239 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc5c ...
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Standard InChI InChI=1S/C41H47N9O6S.C2HF3O2/c42-39(43)32-12-6-30(7-13-32)24 ...
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Standard InChI Key WMLLWXCYJMFXSU-LTJSBYPUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2315239

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
794 793.337 1.55 8 218.92 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 7 2 15 8 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.55 11.6 1.37 -.65 4 57 0.1

Structural Alerts

There are 6 structural alerts for CHEMBL2315239. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WMLLWXCYJMFXSU-LTJSBYPUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2315239



PubChem 71720404

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