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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL324549
CHEMBL324549
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H45N5O10S

Additional synonyms for CHEMBL324549 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CS(=O)(=O)c1ccccc1c2ccc(C[C@@H]3[C@H](CCCOC(=O)NCCCC[C@H](NC ...
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Standard InChI InChI=1S/C34H45N5O10S/c1-50(46,47)29-10-3-2-7-25(29)24-13-11 ...
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Standard InChI Key KNGLZBYFVBOFMQ-IARZGTGTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL324549

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
715.8 715.2887 1.19 8 217.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 1 15 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.18 - .11 .1 2 50 0.19

Structural Alerts

There are 5 structural alerts for CHEMBL324549. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KNGLZBYFVBOFMQ-IARZGTGTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL324549



BindingDB 50104980
PubChem 11061555
PubChem: Thomson Pharma 16128547
ZINC ZINC000027073656

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