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Compound Detail

CHEMBL1358403

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COc1ccc(-c2sc3ccc(OC)cc3c2C#Cc2ccccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1358403
Phase Preclinical
Structure Type MOL
InChI Key KKLIUQGRJMMTIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
5.38
ALogP
4
HBA
0
HBD
31.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17NO2S
MW 371.46
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.95

Data from ChEMBL 36 via Core Engine