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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1237318
CHEMBL1237318
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H29N3O6S2

Additional synonyms for CHEMBL1237318 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[N+](=O)[O-].CC1(C)CC1C(=O)N\C(=C/CCCCCSC2=NCCS2)\C(=O)O
Standard InChI InChI=1S/C17H26N2O3S2.CH3NO3/c1-17(2)11-12(17)14(20)19-13(15 ...
Download InChI
Standard InChI Key FEYMGOUIAYIASP-QCCGTXRUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1237318

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
447.6 447.1498 - - - -


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 CHEMBL1237318

Compound Cross References

ChemSpider ChemSpider:FEYMGOUIAYIASP-QCCGTXRUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1237318



PubChem 52940567

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