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Compound Detail

CHEMBL5082531

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C=CCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5082531
Phase Preclinical
Structure Type MOL
InChI Key LSMBWWWRPMSLJN-GQCTYLIASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.1
MW (Da)
3.41
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11Cl2NO2
MW 272.13
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
35450355 10.1021/acsmedchemlett.2c00028 Botulinum neurotoxin type A 1

Data from ChEMBL 36 via Core Engine