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Compound Detail

CHEMBL4302665

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CCOC(=O)N1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O)CC1

Basic Information

ChEMBL ID CHEMBL4302665
Phase Preclinical
Structure Type MOL
InChI Key GSXYDFDTHUBGSH-YQASGENESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

550.6
MW (Da)
-0.03
ALogP
9
HBA
5
HBD
200.7
PSA (Ų)
0.22
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H38N4O10S
MW 550.63
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 0.01

Data from ChEMBL 36 via Core Engine