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Compound Detail

CHEMBL4650738

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COc1cccc(CCCNCC(O)c2cc(O)cc3c2OCC(=O)N3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650738
Phase Preclinical
Structure Type MOL
InChI Key FMHLCZWGIVYPBY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
1.99
ALogP
6
HBA
4
HBD
100.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2O5
MW 372.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.01

Data from ChEMBL 36 via Core Engine