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Compound Detail

CHEMBL1242953

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CCCCCCCNC(=O)Oc1ccc2ncccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1242953
Phase Preclinical
Structure Type MOL
InChI Key KMLPGHYREKRJPC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
4.29
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.77
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 C17H22N2O2
MW 286.38
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
20684567 10.1021/jm100573q Acetylcholinesterase 1
20684567 10.1021/jm100573q Mus musculus 1

Data from ChEMBL 36 via Core Engine