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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL183041
CHEMBL183041
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H33F3N2O5S

Additional synonyms for CHEMBL183041 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@@]1(CCc2ccccc2)CC(=O)C(=C(O)O1)[C@H](CC)c3cccc(NS(=O)( ...
Download SMILES
Standard InChI InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19- ...
Download InChI
Standard InChI Key NZPXPXAGXYTROM-FYBSXPHGSA-N

Sources

  • Drugs for Neglected Diseases Initiative (DNDi)

Alternate Forms of Compound in ChEMBL


CHEMBL183041

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
602.7 602.2062 7.33 11 105.59 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 2 7 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 - 7.31 3.28 3 42 0.24

Structural Alerts

There are 2 structural alerts for CHEMBL183041. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NZPXPXAGXYTROM-FYBSXPHGSA-N
Wikipedia Tipranavir

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL183041



Human Metabolome Database HMDB0015067
PharmGKB PA163522473
SureChEMBL SCHEMBL40630
ZINC ZINC000100022637

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