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Compound Detail

CHEMBL1390055

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COc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1390055
Phase Preclinical
Structure Type MOL
InChI Key OIBZDTLMOCQKQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.55
ALogP
5
HBA
1
HBD
60.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O4
MW 342.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.76

Data from ChEMBL 36 via Core Engine