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Compound Detail

CHEMBL1492488

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CCN(CC)c1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1492488
Phase Preclinical
Structure Type MOL
InChI Key NBAPZTQKBHEQEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
1.62
ALogP
6
HBA
0
HBD
55.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27N5O
MW 329.45
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.51

Data from ChEMBL 36 via Core Engine