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Compound Detail

CHEMBL4116451

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COC(=O)C(NC(=O)OC([C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)S(=O)(=O)O)C(C)C

Basic Information

ChEMBL ID CHEMBL4116451
Phase Preclinical
Structure Type MOL
InChI Key HPPDUQWHXOAVSW-QYBCKIJESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

642.7
MW (Da)
1.48
ALogP
10
HBA
5
HBD
215.5
PSA (Ų)
0.10
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H42N4O11S
MW 642.73
Aromatic Rings 1
Heavy Atoms 44
NP-Likeness 0.16

Data from ChEMBL 36 via Core Engine