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Compound Detail

CHEMBL3039745

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COc1cc(C(=N)N)cc(Br)c1OCc1cccc(C(=N)N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039745
Phase Preclinical
Structure Type MOL
InChI Key JLVKTVJDRHOGEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.2
MW (Da)
2.60
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17BrN4O2
MW 377.24
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.33

Data from ChEMBL 36 via Core Engine