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Compound Detail

CHEMBL509614

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CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1

Basic Information

ChEMBL ID CHEMBL509614
Phase Preclinical
Structure Type MOL
InChI Key GMGHBSHBCGMTKY-WSRODCCKSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

641.7
MW (Da)
4.88
ALogP
6
HBA
3
HBD
115.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H36F3N4O6+
MW 641.67
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine