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Compound Detail

CHEMBL1181092

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CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2ccc[n+](C)c2)C(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181092
Phase Preclinical
Structure Type MOL
InChI Key KUOIDJDESQSLAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

481.7
MW (Da)
6.78
ALogP
3
HBA
0
HBD
50.5
PSA (Ų)
0.18
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 C30H45N2O3+
MW 481.70
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine