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Compound Detail

CHEMBL1188869

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CN(C(=O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188869
Phase Preclinical
Structure Type MOL
InChI Key ZGOCECSZFFUJNG-WOJBJXKFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
5.02
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.68
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30Cl2N2O2
MW 413.39
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine