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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL610439
CHEMBL610439
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C46H66N8O7

Additional synonyms for CHEMBL610439 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c ...
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Standard InChI InChI=1S/C46H66N8O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16- ...
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Standard InChI Key PQOPABQNSOMLKM-ZDMULTEQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL610439

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
843.1 842.5054 7.18 28 212.84 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 7 4 15 7 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.11 2.65 8.4 8.4 4 61 0.03

Structural Alerts

There are 9 structural alerts for CHEMBL610439. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PQOPABQNSOMLKM-ZDMULTEQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL610439



BindingDB 50368538
PubChem 46876505

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