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Compound Detail

CHEMBL1189311

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COC(=O)c1c(-c2cc(OC)c(Br)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189311
Phase Preclinical
Structure Type MOL
InChI Key AWFWBKQUFWRGAM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

616.5
MW (Da)
5.78
ALogP
9
HBA
1
HBD
114.9
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H26BrN3O6
MW 616.47
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine