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Compound Detail

CHEMBL1494440

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CCc1ccc(NC(=O)Cn2c(SC)nc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1494440
Phase Preclinical
Structure Type MOL
InChI Key YVTQQBUMRYYLDL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
3.96
ALogP
4
HBA
1
HBD
46.9
PSA (Ų)
0.72
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 C18H19N3OS
MW 325.44
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.30

Data from ChEMBL 36 via Core Engine