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Compound Detail

CHEMBL3304370

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C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](N)CC[C@@]3(O)[C@H]1C5

Basic Information

ChEMBL ID CHEMBL3304370
Phase Preclinical
Structure Type MOL
InChI Key UBCLWVBUOUMVQE-YIBUMMLISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
1.06
ALogP
5
HBA
3
HBD
79.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2O3
MW 328.41
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.91

Data from ChEMBL 36 via Core Engine