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Compound Detail

CHEMBL1206422

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CCOC(=O)N1CCc2c(oc3cc(/C=C4/C(=O)N5C(C(=O)O)=CS[C@H]45)nn23)C1

Basic Information

ChEMBL ID CHEMBL1206422
Phase Preclinical
Structure Type MOL
InChI Key PHUWFIFGJBRHPU-MGDKSHQASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
1.67
ALogP
8
HBA
1
HBD
117.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O6S
MW 416.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine