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Compound Detail

CHEMBL4301340

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CCN[C@@H]1CCC=C(c2ccc(F)cc2)[C@H]1COc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl

Basic Information

ChEMBL ID CHEMBL4301340
Phase Preclinical
Structure Type MOL
InChI Key VQMLBMJANZMDDR-WIYYLYMNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

540.1
MW (Da)
5.73
ALogP
6
HBA
2
HBD
80.3
PSA (Ų)
0.36
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24ClF2N3O3S2
MW 540.06
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.99

Data from ChEMBL 36 via Core Engine