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Compound Detail

CHEMBL3623937

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CC[N+]1(Cc2ccccc2[N+](=O)[O-])CCCCCC[N+](CC)(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(=O)cc(C)n(c2=O)CCCCC1

Basic Information

ChEMBL ID CHEMBL3623937
Phase Preclinical
Structure Type MOL
InChI Key XRMMDZSSROXOHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

706.9
MW (Da)
7.12
ALogP
8
HBA
0
HBD
130.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H58N6O6+2
MW 706.93
Aromatic Rings 3
Heavy Atoms 51
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine