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Compound Detail

CHEMBL3138889

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COc1cc(CNc2ccc(C)c(O)c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3138889
Phase Preclinical
Structure Type MOL
InChI Key UJOFXNJWMIPTAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.34
ALogP
5
HBA
2
HBD
60.0
PSA (Ų)
0.86
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 C17H21NO4
MW 303.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.25

Data from ChEMBL 36 via Core Engine