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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL325421
CHEMBL325421
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H43F3N6O7

Additional synonyms for CHEMBL325421 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)c3c ...
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Standard InChI InChI=1S/C34H43F3N6O7/c35-34(36,37)25-6-3-5-24(20-25)23-11-9 ...
Download InChI
Standard InChI Key QMTWRDGSYLQRRX-IARZGTGTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL325421

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
704.8 704.3145 2.38 7 178.2 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 6 2 13 6 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.18 8.37 1.02 0 2 50 0.19

Structural Alerts

There are 5 structural alerts for CHEMBL325421. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QMTWRDGSYLQRRX-IARZGTGTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL325421



BindingDB 50104978
PubChem 10887027
PubChem: Thomson Pharma 15933255
ZINC ZINC000026998005

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