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Compound Detail

CHEMBL3040901

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CO/N=C(\N)c1ccc(COc2ccc(/C(N)=N/OC)cc2Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040901
Phase Preclinical
Structure Type MOL
InChI Key VMLYPUCPCVXDJZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.3
MW (Da)
2.56
ALogP
5
HBA
2
HBD
104.5
PSA (Ų)
0.42
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 C17H19BrN4O3
MW 407.27
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine