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Compound Detail

CHEMBL4595870

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CN(CC(=O)O)c1cccc(CN(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2cccnc2)n1

Basic Information

ChEMBL ID CHEMBL4595870
Phase Preclinical
Structure Type MOL
InChI Key BCOZUBRVOSUASP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
3.69
ALogP
6
HBA
1
HBD
103.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N4O4S
MW 482.61
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.68

Data from ChEMBL 36 via Core Engine