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Compound Detail

CHEMBL1181099

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CCCCCCCCCCCCCCOc1ccc(CN(Cc2cc[n+](C)cc2)C(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181099
Phase Preclinical
Structure Type MOL
InChI Key KBFJRZMHVXEDED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.7
MW (Da)
7.14
ALogP
2
HBA
0
HBD
33.4
PSA (Ų)
0.17
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H47N2O2+
MW 467.72
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.46

Data from ChEMBL 36 via Core Engine