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Compound Detail

CHEMBL1789493

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C[N+](C)(C)CCOc1cnc2c3c(cccc13)C(=O)c1ccccc1-2

Basic Information

ChEMBL ID CHEMBL1789493
Phase Preclinical
Structure Type MOL
InChI Key YGCNKTQCSRVOMY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.53
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N2O2+
MW 333.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.44

Data from ChEMBL 36 via Core Engine