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Compound Detail

CHEMBL4299878

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C[C@H](/C=C/c1cc[n+](C)cc1)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Basic Information

ChEMBL ID CHEMBL4299878
Phase Preclinical
Structure Type MOL
InChI Key SBHBRINKBITFAZ-GTFICYHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.7
MW (Da)
6.10
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H42NO+
MW 420.66
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 2.45

Data from ChEMBL 36 via Core Engine