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Compound Detail

CHEMBL1207237

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CCCCCOc1ccccc1C(O)CC#CCCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207237
Phase Preclinical
Structure Type MOL
InChI Key IDMNIAMGOMKQFB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
3.94
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26O4
MW 318.41
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.33

Data from ChEMBL 36 via Core Engine