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Compound Detail

CHEMBL3545973

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CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C[C@@H](C)CF)[C@H]2O5

Basic Information

ChEMBL ID CHEMBL3545973
Phase Preclinical
Structure Type MOL
InChI Key UAJHQGGBORDTST-TVLPHGAVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.6
MW (Da)
3.58
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.73
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 C26H36FNO4
MW 445.58
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.72

Data from ChEMBL 36 via Core Engine