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Compound Detail

CHEMBL5095730

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CC1(O)C[N+](C)(CCCCCCOc2ccc(C(=C3C4CC5CC(C4)CC3C5)c3ccc(OCCCCCC[N+]4(C)CC(C)(O)C4)cc3)cc2)C1

Basic Information

ChEMBL ID CHEMBL5095730
Phase Preclinical
Structure Type MOL
InChI Key UEYQOAIUMVEOIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

701.0
MW (Da)
8.25
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.12
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H68N2O4+2
MW 701.05
Aromatic Rings 2
Heavy Atoms 51
NP-Likeness 0.11

Data from ChEMBL 36 via Core Engine