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Compound Detail

CHEMBL3991011

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Fc1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccc(F)cc3)n2)cc1

Basic Information

ChEMBL ID CHEMBL3991011
Phase Preclinical
Structure Type MOL
InChI Key OQDKAWLRKBCMEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
4.84
ALogP
7
HBA
3
HBD
87.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16F2N6O
MW 394.39
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.34

Data from ChEMBL 36 via Core Engine