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Compound Detail

CHEMBL1194775

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CN(C)CCSc1nc2ccccc2cc1-c1ccc(C#N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194775
Phase Preclinical
Structure Type MOL
InChI Key SZFDXORKUQMTQA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.5
MW (Da)
4.43
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3S
MW 333.46
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.39

Data from ChEMBL 36 via Core Engine