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Compound Detail

CHEMBL1617675

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COc1ccc(-c2cc(=NCCCCCC(=O)O)c3cc(C)ccc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1617675
Phase Preclinical
Structure Type MOL
InChI Key DWGXOZUYCCHVKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
4.96
ALogP
4
HBA
1
HBD
72.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25NO4
MW 379.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.02

Data from ChEMBL 36 via Core Engine