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Compound Detail

CHEMBL2032263

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O=C(/C=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2032263
Phase Preclinical
Structure Type MOL
InChI Key BPOGXXGNDMGKHC-VMPITWQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
2.55
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19ClN2O5S
MW 422.89
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
22542019 10.1016/j.bmcl.2012.04.019 Botulinum neurotoxin type A 1

Data from ChEMBL 36 via Core Engine