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Compound Detail

CHEMBL3545715

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CN(C(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(I)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545715
Phase Preclinical
Structure Type MOL
InChI Key IZRINCFONHYFIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.3
MW (Da)
3.40
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.69
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 C19H21IN2O2
MW 436.29
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.03

Data from ChEMBL 36 via Core Engine