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Compound Detail

CHEMBL4116578

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CCCCCCOC(=O)OC([C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1cccc(Cl)c1)S(=O)(=O)O

Basic Information

ChEMBL ID CHEMBL4116578
Phase Preclinical
Structure Type MOL
InChI Key LFFYIZOJXJXGFX-OZPGLROYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

688.2
MW (Da)
4.86
ALogP
9
HBA
4
HBD
186.4
PSA (Ų)
0.10
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H46ClN3O10S
MW 688.24
Aromatic Rings 1
Heavy Atoms 46
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine