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Compound Detail

CHEMBL5830880

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C=CC(=O)N[C@@H]1CCc2c(-c3ccc(Oc4ccc(F)cc4)cc3)c3c(N)ncnc3n2C1

Basic Information

ChEMBL ID CHEMBL5830880
Phase Preclinical
Structure Type MOL
InChI Key PKEAUVYBWZLGKK-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
4.23
ALogP
6
HBA
2
HBD
95.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22FN5O2
MW 443.48
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.70

Data from ChEMBL 36 via Core Engine