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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL208677
CHEMBL208677
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H40N4O7S

Additional synonyms for CHEMBL208677 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNC(=O)CCCCCN3C[C@H](O)[C@@H ...
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Standard InChI InChI=1S/C26H40N4O7S/c1-29(2)20-10-6-9-19-18(20)8-7-11-23(19 ...
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Standard InChI Key JDOSPTGVHAVBLK-USXZWKKNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL208677

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
552.7 552.2618 -0.38 13 162.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 6 2 11 6 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.14 6.86 .35 .24 2 38 0.18

Structural Alerts

There are 3 structural alerts for CHEMBL208677. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JDOSPTGVHAVBLK-USXZWKKNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL208677



BindingDB 50182793
PubChem 44410021
ZINC ZINC000036184819

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