ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2315236
CHEMBL2315236
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C44H50F3N9O8S

Additional synonyms for CHEMBL2315236 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)NCc5 ...
Download SMILES
Standard InChI InChI=1S/C42H49N9O6S.C2HF3O2/c43-40(44)34-14-10-32(11-15-34) ...
Download InChI
Standard InChI Key AGWPISFQDMJINO-CZZGGHMTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2315236

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
808 807.3527 1.23 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
8.53 11.6 -.27 -2.3 4 58 0.1

Structural Alerts

There are 7 structural alerts for CHEMBL2315236. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AGWPISFQDMJINO-CZZGGHMTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2315236



PubChem 71716765

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