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Compound Detail

CHEMBL1191968

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c1ccc(OCCN2CCN(c3cccc4ccoc34)CC2)cc1

Basic Information

ChEMBL ID CHEMBL1191968
Phase Preclinical
Structure Type MOL
InChI Key FXWNMKIMNYZLAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.63
ALogP
4
HBA
0
HBD
28.9
PSA (Ų)
0.72
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 C20H22N2O2
MW 322.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine