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Compound Detail

CHEMBL3139898

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C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+]1(C)CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1

Basic Information

ChEMBL ID CHEMBL3139898
Phase Preclinical
Structure Type MOL
InChI Key JDEDRWFTSNORGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

560.7
MW (Da)
4.44
ALogP
5
HBA
0
HBD
68.2
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H44N4O4+2
MW 560.74
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine