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Compound Detail

CHEMBL1205036

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N=C(N)NCCNC(=O)/C=C/C1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)[C@H]2S(=O)(=O)C1

Basic Information

ChEMBL ID CHEMBL1205036
Phase Preclinical
Structure Type MOL
InChI Key UWMFUDIMSKDTJN-QRAAAHBQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
-1.44
ALogP
7
HBA
5
HBD
195.6
PSA (Ų)
0.11
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 C19H20N6O6S
MW 460.47
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine