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Compound Detail

CHEMBL1616716

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CCCCCCCCCCCCCCCC[n+]1ccn(CC(C)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1616716
Phase Preclinical
Structure Type MOL
InChI Key DBVXTXHHEDGFQV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.6
MW (Da)
5.85
ALogP
2
HBA
0
HBD
25.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H41N2O+
MW 349.58
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine