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Compound Detail

CHEMBL1229228

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COc1cc(C#CCC[N+]23CCC(CC2)CC3)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1229228
Phase Preclinical
Structure Type MOL
InChI Key GMFDZMPJSLOODW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.08
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28NO3+
MW 330.45
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.21

Data from ChEMBL 36 via Core Engine