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Compound Detail

CHEMBL3183725

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O=C(Nc1cc(N2CCCCC2)ncn1)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3183725
Phase Preclinical
Structure Type MOL
InChI Key LDYYSSFAGDBXEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.87
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O
MW 332.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.71

Data from ChEMBL 36 via Core Engine