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Compound Detail

CHEMBL1181068

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CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2CC)C(C)=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181068
Phase Preclinical
Structure Type MOL
InChI Key WSDSAPVSWKSSQL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

525.8
MW (Da)
7.27
ALogP
4
HBA
0
HBD
59.7
PSA (Ų)
0.14
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H49N2O4+
MW 525.75
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.34

Data from ChEMBL 36 via Core Engine