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Compound Detail

CHEMBL2079401

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CCCC[n+]1cccc(CCCCCCCCCCCCCI)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079401
Phase Preclinical
Structure Type MOL
InChI Key LIDNMGRTBIREPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
7.04
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.11
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H39IN+
MW 444.47
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.28

Data from ChEMBL 36 via Core Engine