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Compound Detail

CHEMBL2138050

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CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2138050
Phase Preclinical
Structure Type MOL
InChI Key BIODSXHMBFPXRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.0
MW (Da)
2.80
ALogP
5
HBA
1
HBD
96.0
PSA (Ų)
0.69
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 C23H26ClN3O5S
MW 492.00
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.99

Data from ChEMBL 36 via Core Engine