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Compound Detail

CHEMBL1205862

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CC(C)c1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)cn1C(C)C

Basic Information

ChEMBL ID CHEMBL1205862
Phase Preclinical
Structure Type MOL
InChI Key JNPGUXGVLNJQSQ-BGGMYYEUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
4.60
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30FNO4
MW 403.49
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.11

Data from ChEMBL 36 via Core Engine