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Compound Detail

CHEMBL1615826

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COc1ccc(-c2c(-c3cc(Br)c(OC)c(OC)c3)ncn2C)cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1615826
Phase Preclinical
Structure Type MOL
InChI Key DONOIWAHYJWKLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.3
MW (Da)
4.12
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20BrN3O3
MW 418.29
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.34

Data from ChEMBL 36 via Core Engine