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Compound Detail

CHEMBL1178083

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CCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1

Basic Information

ChEMBL ID CHEMBL1178083
Phase Preclinical
Structure Type MOL
InChI Key FTMUXSCRHHDCIY-LQFQNGICSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

699.0
MW (Da)
8.86
ALogP
7
HBA
1
HBD
98.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H60N3O6S+
MW 698.99
Aromatic Rings 2
Heavy Atoms 49
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine