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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL93600
CHEMBL93600
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H20FN5O5S

Additional synonyms for CHEMBL93600 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(CCC)c2[nH]c(NC(=O)c3cccc(c3)S(=O)(=O)F)nc2C1=O
Standard InChI InChI=1S/C18H20FN5O5S/c1-3-8-23-14-13(16(26)24(9-4-2)18(23)2 ...
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Standard InChI Key ZPVVBXADJGZUBV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL93600

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
437.5 437.1169 1.62 7 135.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.29 .63 4.52 4.29 3 30 0.54

Structural Alerts

There are 14 structural alerts for CHEMBL93600. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZPVVBXADJGZUBV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL93600



BindingDB 50039689
Nikkaji J602.059C
PubChem 10320870
PubChem: Thomson Pharma 15330306
ZINC ZINC000100739146

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