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Compound Detail

CHEMBL4548956

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CN(C(=O)CNC(=O)c1ccnn1-c1ccccc1)C1CCS(=O)(=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4548956
Phase Preclinical
Structure Type MOL
InChI Key PJRAPQUKXSJQII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
0.64
ALogP
6
HBA
1
HBD
101.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O4S
MW 390.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -2.12

Data from ChEMBL 36 via Core Engine