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Compound Detail

CHEMBL1187732

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COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2cc(Br)c(N)c(Br)c2)N3C)cc1

Basic Information

ChEMBL ID CHEMBL1187732
Phase Preclinical
Structure Type MOL
InChI Key QSZLGYOMEQPEHI-VZVVXEKASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

552.3
MW (Da)
5.15
ALogP
5
HBA
1
HBD
64.8
PSA (Ų)
0.40
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28Br2N2O3
MW 552.31
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.23

Data from ChEMBL 36 via Core Engine