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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1161332
CHEMBL1161332
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C50H58N10O10S2

Additional synonyms for CHEMBL1161332 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC( ...
Download SMILES
Standard InChI InChI=1S/C50H58N10O10S2/c1-29-42(61)54-37(22-30-14-6-3-7-15- ...
Download InChI
Standard InChI Key SEKPCRFTCJTKMS-CZNROWNISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1161332

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
1023.2 1022.3779 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1161332

Compound Cross References

ChemSpider ChemSpider:SEKPCRFTCJTKMS-CZNROWNISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1161332



PubChem 44368406

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