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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL34323
CHEMBL34323
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H41ClN4O6

Additional synonyms for CHEMBL34323 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N1CCC(CC1)C(=O)N(CCc2ccc3OCOc3c2)C[C@H](O)[C@H](Cc4ccc ...
Download SMILES
Standard InChI InChI=1S/C35H41ClN4O6/c1-24(41)39-16-13-27(14-17-39)35(44)40 ...
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Standard InChI Key QYNGMKLMUCFWOW-CONSDPRKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL34323

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
649.2 648.2715 3.9 13 120.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 10 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.71 2.3 3.38 3.38 3 46 0.26

Structural Alerts

There are 1 structural alerts for CHEMBL34323. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QYNGMKLMUCFWOW-CONSDPRKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL34323



BindingDB 50076285
Brenda 114568
IBM Patent System 62ABCD5CDE281635D12DF9CBDBC3CC41
Nikkaji J1.081.905I
PubChem 9830952
PubChem: Thomson Pharma 14790131
ZINC ZINC000029222213

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