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Compound Detail

CHEMBL1208428

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C/C=C1\[C@H]2C=C(C)C[C@]1(/N=C/c1ccccc1OS(=O)(=O)O)c1ccc(=O)[nH]c1C2

Basic Information

ChEMBL ID CHEMBL1208428
Phase Preclinical
Structure Type MOL
InChI Key ZQFPPNIMVJIVRI-QECMQFKJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
3.34
ALogP
5
HBA
2
HBD
108.8
PSA (Ų)
0.44
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 C22H22N2O5S
MW 426.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.00

Data from ChEMBL 36 via Core Engine