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Compound Detail

CHEMBL1181661

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COc1ccc(CC2c3c(Br)cccc3CC[N+]2(C)C)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181661
Phase Preclinical
Structure Type MOL
InChI Key WAGPOIKDRRLACT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
4.38
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25BrNO2+
MW 391.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.81

Data from ChEMBL 36 via Core Engine