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Compound Detail

CHEMBL52212

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CCCCN(CCCC)CCCOc1ccc(/C=C/c2nc3ccccc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL52212
Phase Preclinical
Structure Type MOL
InChI Key FPIZKWIWDOGILJ-SAPNQHFASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.6
MW (Da)
6.67
ALogP
4
HBA
0
HBD
38.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34N2O2
MW 406.57
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine