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Compound Detail

CHEMBL3990303

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CCOC(C(=O)NCc1ccc(C(=N)N)cc1OCC(N)=O)c1c(F)cc(OCc2ccccn2)cc1F

Basic Information

ChEMBL ID CHEMBL3990303
Phase Preclinical
Structure Type MOL
InChI Key OYEYXMDCMAHWEP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

527.5
MW (Da)
2.48
ALogP
7
HBA
4
HBD
162.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27F2N5O5
MW 527.53
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.28

Data from ChEMBL 36 via Core Engine