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Compound Detail

CHEMBL1205965

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CSC(SC)=C1C(C)=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)[C@H]2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205965
Phase Preclinical
Structure Type MOL
InChI Key LXONRBRNZODGSO-MEODZPNASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
2.32
ALogP
7
HBA
1
HBD
104.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O5S3
MW 424.53
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine