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Compound Detail

CHEMBL144494

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COc1cccc(-c2csc(CCN3CCN(c4ccccc4OC)CC3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144494
Phase Preclinical
Structure Type MOL
InChI Key SMQPEHDUZWMGGB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.6
MW (Da)
4.19
ALogP
6
HBA
0
HBD
37.8
PSA (Ų)
0.58
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 C23H27N3O2S
MW 409.56
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.67

Data from ChEMBL 36 via Core Engine