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Compound Detail

CHEMBL4302867

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CNCC(O)COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302867
Phase Preclinical
Structure Type MOL
InChI Key KNFWAPJGAORRJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
-0.42
ALogP
6
HBA
2
HBD
82.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N3O4S
MW 343.45
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.23

Data from ChEMBL 36 via Core Engine