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Compound Detail

CHEMBL3990856

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CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccc3cnn(C)c3c2)c2ccc(Br)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990856
Phase Preclinical
Structure Type MOL
InChI Key AIPMVTAUGMXOJI-OHYPFYFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

534.5
MW (Da)
6.01
ALogP
5
HBA
1
HBD
50.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32BrN3O2
MW 534.50
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine