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Compound Detail

CHEMBL3039789

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CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O

Basic Information

ChEMBL ID CHEMBL3039789
Phase Preclinical
Structure Type MOL
InChI Key FJBDYSRTNGPUEY-DDVDASKDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
4.40
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.46
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 C25H27FN2O4
MW 438.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.15

Data from ChEMBL 36 via Core Engine