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Compound Detail

CHEMBL3139012

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CN1CCO[C@@H]2Cc3c(O)cccc3C[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139012
Phase Preclinical
Structure Type MOL
InChI Key GVORMLBKZQBODK-DGCLKSJQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

219.3
MW (Da)
1.19
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17NO2
MW 219.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.77

Data from ChEMBL 36 via Core Engine