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Compound Detail

CHEMBL3594530

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OC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594530
Phase Preclinical
Structure Type MOL
InChI Key DPBWDEASAJPMOL-CABZTGNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

276.2
MW (Da)
2.26
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15Cl2NO2
MW 276.16
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.18

Data from ChEMBL 36 via Core Engine