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Compound Detail

CHEMBL3140206

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CN1C(=O)CC[C@@]2(C)C1CC[C@H]1[C@@H]3CC[C@H](C(=O)O)[C@@]3(C)CC[C@@H]12

Basic Information

ChEMBL ID CHEMBL3140206
Phase Preclinical
Structure Type MOL
InChI Key SMKOQYDIZVBLMS-BUIZJDPHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.5
MW (Da)
3.55
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31NO3
MW 333.47
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 1.63

Data from ChEMBL 36 via Core Engine