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Compound Detail

CHEMBL1186266

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CCN(CC)CCNC(=O)c1c(I)ccc2c(=O)c3ccccc3[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186266
Phase Preclinical
Structure Type MOL
InChI Key LTUWIQQMEODLIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

463.3
MW (Da)
3.36
ALogP
3
HBA
2
HBD
65.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22IN3O2
MW 463.32
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.81

Data from ChEMBL 36 via Core Engine