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Compound Detail

CHEMBL1180229

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CCCCCCCCCCCC[N+](C)(CCO)CCCCCCCCCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180229
Phase Preclinical
Structure Type MOL
InChI Key XYEVCZCWQFVWDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.8
MW (Da)
8.27
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.12
QED
1
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H58NO+
MW 412.77
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 0.37

Data from ChEMBL 36 via Core Engine