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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2315247
CHEMBL2315247
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C46H54F3N9O8S

Additional synonyms for CHEMBL2315247 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCCN(CC4)CCC(=O)N ...
Download SMILES
Standard InChI InChI=1S/C44H53N9O6S.C2HF3O2/c45-42(46)35-13-7-33(8-14-35)29 ...
Download InChI
Standard InChI Key WZYRCJJNQVDXMC-MAVUKPMZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2315247

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
836 835.384 2.72 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
8.56 11.6 1.93 -.51 4 60 0.1

Structural Alerts

There are 6 structural alerts for CHEMBL2315247. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WZYRCJJNQVDXMC-MAVUKPMZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2315247



PubChem 71716139

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