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Compound Detail

CHEMBL3040837

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CO/N=C(\N)c1cccc(COc2ccc(/C(N)=N/OC)cc2I)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040837
Phase Preclinical
Structure Type MOL
InChI Key MYDLTSZEPDAIHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.3
MW (Da)
2.40
ALogP
5
HBA
2
HBD
104.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19IN4O3
MW 454.27
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine