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Compound Detail

CHEMBL2220421

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CCN(CC)c1ccc(/C=C2\Cc3cc(O)c(O)cc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220421
Phase Preclinical
Structure Type MOL
InChI Key PQIZPVAXSAZZQQ-OQLLNIDSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.77
ALogP
4
HBA
2
HBD
60.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO3
MW 323.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.13

Data from ChEMBL 36 via Core Engine