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Compound Detail

CHEMBL3191201

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CCN(CC)c1ccc(/C=N/NC(=S)NCc2ccco2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3191201
Phase Preclinical
Structure Type MOL
InChI Key VJUNLCDAPXNXGM-XDHOZWIPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.5
MW (Da)
3.12
ALogP
4
HBA
2
HBD
52.8
PSA (Ų)
0.46
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 C17H22N4OS
MW 330.46
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.30

Data from ChEMBL 36 via Core Engine