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Compound Detail

CHEMBL3040256

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CC(C)NC(=N)c1ccc(COc2ccc(C(=N)NC(C)C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040256
Phase Preclinical
Structure Type MOL
InChI Key IYIANSAYODQVCW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
3.91
ALogP
3
HBA
4
HBD
81.0
PSA (Ų)
0.45
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 C21H28N4O
MW 352.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.41

Data from ChEMBL 36 via Core Engine