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Compound Detail

CHEMBL4558660

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CCCCCCCC(C)(O)/C=C/[C@H](NC(=O)C(C)(C)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O

Basic Information

ChEMBL ID CHEMBL4558660
Phase Preclinical
Structure Type MOL
InChI Key NQJBLNHMEVRINX-RMXWBKHOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

602.8
MW (Da)
2.90
ALogP
6
HBA
6
HBD
170.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H54N4O6
MW 602.82
Aromatic Rings 1
Heavy Atoms 43
NP-Likeness 0.56

Data from ChEMBL 36 via Core Engine