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Compound Detail

CHEMBL3039788

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CC(C)c1nn(-c2cnccn2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O

Basic Information

ChEMBL ID CHEMBL3039788
Phase Preclinical
Structure Type MOL
InChI Key DPRJPRMZJGWLHY-HNGSOEQISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
3.19
ALogP
7
HBA
3
HBD
121.4
PSA (Ų)
0.47
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 C23H25FN4O4
MW 440.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine