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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16332
CHEMBL16332
Compound Name ZOFENOPRILAT
ChEMBL Synonyms Zofenoprilat
Max Phase 0
Trade Names
Molecular Formula C15H19NO3S2

Additional synonyms for CHEMBL16332 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc2ccccc2
Standard InChI InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18) ...
Download InChI
Standard InChI Key UQWLOWFDKAFKAP-WXHSDQCUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL16332

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
325.5 325.0806 2.4 5 57.61 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.32 - 4.26 .7 1 21 0.82

Structural Alerts

There are 6 structural alerts for CHEMBL16332. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UQWLOWFDKAFKAP-WXHSDQCUSA-N
Wikipedia Zofenoprilat

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16332



BindingDB 50018850
ChEBI 82602
DrugBank DB08766
EPA CompTox Dashboard DTXSID50231443
FDA SRS 4G4WDK2YBS
Guide to Pharmacology 6463
IBM Patent System C674FA2C121E68D172A6686E83949AA5
Metabolights MTBLC82602
Nikkaji J404.515G
PDBe ZED
PubChem 3034048
PubChem: Thomson Pharma 14924090
SureChEMBL SCHEMBL678738
ZINC ZINC000003780852

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