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Compound Detail

CHEMBL528708

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CCCCCCn1c2c(c(=N)c3c1CCC3)CCC2

Basic Information

ChEMBL ID CHEMBL528708
Phase Preclinical
Structure Type MOL
InChI Key WKLIILWHYTVQKO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

258.4
MW (Da)
3.53
ALogP
2
HBA
1
HBD
28.8
PSA (Ų)
0.78
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 C17H26N2
MW 258.41
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine