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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL308052
CHEMBL308052
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C40H42Cl2F2N8O3

Additional synonyms for CHEMBL308052 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc2ccc3c(CN4CCCC4 ...
Download SMILES
Standard InChI InChI=1S/C40H42Cl2F2N8O3/c41-31-7-5-8-32(42)30(31)24-52-23-2 ...
Download InChI
Standard InChI Key BEWLPDVTVIFJAJ-ZPGRZCPFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL308052

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
791.7 790.2725 5.48 15 146.41 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 2 11 6 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.02 9.89 6.67 3 5 55 0.1

Structural Alerts

There are 3 structural alerts for CHEMBL308052. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BEWLPDVTVIFJAJ-ZPGRZCPFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL308052



BindingDB 50129485
PubChem 44309751
ZINC ZINC000095610226

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