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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276162
CHEMBL276162
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H27NO5S

Additional synonyms for CHEMBL276162 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)CSCCCCC\C=C(/NC(=O)C1CC1(C)C)\C(=O)O
Standard InChI InChI=1S/C17H27NO5S/c1-17(2)10-12(17)15(20)18-13(16(21)22)8- ...
Download InChI
Standard InChI Key KHODXOPCYKZTAP-JYRVWZFOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL276162

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
357.5 357.161 2.58 11 92.7 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.13 - 1.72 -1.49 0 24 0.34

Structural Alerts

There are 8 structural alerts for CHEMBL276162. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KHODXOPCYKZTAP-JYRVWZFOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276162



BindingDB 50023959
PubChem 44267635
SureChEMBL SCHEMBL9748719

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