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Compound Detail

CHEMBL1186296

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COC(=O)[C@H]1[C@@H](c2cc(I)c(OC)c(I)c2)C[C@H]2CC[C@H]1N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186296
Phase Preclinical
Structure Type MOL
InChI Key RJVVHOVEVPAEDG-FKGLVLAHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

541.2
MW (Da)
3.64
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21I2NO3
MW 541.17
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.73

Data from ChEMBL 36 via Core Engine