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Compound Detail

CHEMBL1185000

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C[N+](C)(CC#CCOc1ccon1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O

Basic Information

ChEMBL ID CHEMBL1185000
Phase Preclinical
Structure Type MOL
InChI Key UJRLCHPHOFDGCR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
3.46
ALogP
5
HBA
0
HBD
72.6
PSA (Ų)
0.17
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40N4O4+2
MW 496.65
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine