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Compound Detail

CHEMBL1186295

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COC(=O)[C@H]1[C@@H](c2ccc(OC)c(I)c2)C[C@H]2CC[C@H]1N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186295
Phase Preclinical
Structure Type MOL
InChI Key XUXBIDWGYIJHNK-NCZKRNLISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.3
MW (Da)
3.04
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.56
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 C17H22INO3
MW 415.27
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.40

Data from ChEMBL 36 via Core Engine