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Compound Detail

CHEMBL4117070

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CCCCCCCC(=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 CHEMBL4117070
Phase Preclinical
Structure Type MOL
InChI Key DWPNNJXCDJPSBX-STGKWRNGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

686.3
MW (Da)
5.03
ALogP
8
HBA
4
HBD
177.2
PSA (Ų)
0.09
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H48ClN3O9S
MW 686.27
Aromatic Rings 1
Heavy Atoms 46
NP-Likeness 0.05

Data from ChEMBL 36 via Core Engine