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Compound Detail

CHEMBL3623940

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CC[N+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)cc(=O)n(c2=O)CCCCC[N+](CC)(Cc2ccccc2[N+](=O)[O-])Cc2ccc(cc2)C1

Basic Information

ChEMBL ID CHEMBL3623940
Phase Preclinical
Structure Type MOL
InChI Key HTSMDVRAOTZYSQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

726.9
MW (Da)
7.26
ALogP
8
HBA
0
HBD
130.3
PSA (Ų)
0.11
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 C41H54N6O6+2
MW 726.92
Aromatic Rings 4
Heavy Atoms 53
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine