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Compound Detail

CHEMBL1205967

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CCOC(=O)CNC(=O)OCC1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)C2S(=O)(=O)C1

Basic Information

ChEMBL ID CHEMBL1205967
Phase Preclinical
Structure Type MOL
InChI Key PJWAXGRNBVZGLQ-QPEQYQDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.4
MW (Da)
-0.31
ALogP
9
HBA
2
HBD
169.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N3O9S
MW 465.44
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine