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Compound Detail

CHEMBL3623902

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CC[N+](CC)(CCCCCn1c(C)cc(=O)n(CCCCC[N+](CC)(CC)Cc2ccccc2[N+](=O)[O-])c1=O)Cc1ccccc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL3623902
Phase Preclinical
Structure Type MOL
InChI Key WLTAFWKKNBLBHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

680.9
MW (Da)
6.59
ALogP
8
HBA
0
HBD
130.3
PSA (Ų)
0.05
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H56N6O6+2
MW 680.89
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine