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Compound Detail

CHEMBL4300940

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c1cc(C2=NCCN2)ccc1SCCOCCSc1ccc(C2=NCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300940
Phase Preclinical
Structure Type MOL
InChI Key XSVXMKDIVBGISW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.6
MW (Da)
3.29
ALogP
7
HBA
2
HBD
58.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N4OS2
MW 426.61
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine