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Compound Detail

CHEMBL1621933

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CN(C)CCCN(C(=O)CCc1ccccc1)c1nc2ccc(Br)cc2s1

Basic Information

ChEMBL ID CHEMBL1621933
Phase Preclinical
Structure Type MOL
InChI Key OWLFSCJNLJEHGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.4
MW (Da)
4.98
ALogP
4
HBA
0
HBD
36.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24BrN3OS
MW 446.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.92

Data from ChEMBL 36 via Core Engine