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Compound Detail

CHEMBL3558422

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CC[C@@H]1C[N+]2(C)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69

Basic Information

ChEMBL ID CHEMBL3558422
Phase Preclinical
Structure Type MOL
InChI Key XVLDELMYWDBFCC-ZPHLWMJCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

586.9
MW (Da)
6.58
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.37
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H50N4+2
MW 586.87
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness 1.14

Data from ChEMBL 36 via Core Engine