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Compound Detail

CHEMBL1626166

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CCOC(=O)C1(c2ccc(I)cc2)CCNCC1

Basic Information

ChEMBL ID CHEMBL1626166
Phase Preclinical
Structure Type MOL
InChI Key OCGXFEDBOSPKLV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.2
MW (Da)
2.48
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.67
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 C14H18INO2
MW 359.21
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine