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Compound Detail

CHEMBL1185884

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COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185884
Phase Preclinical
Structure Type MOL
InChI Key MRCKSWXOWOMYII-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
3.66
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.65
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 C22H23NO4
MW 365.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine