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Compound Detail

CHEMBL1626114

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C=CCNCCOCCOc1ccc(Cl)cc1C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1626114
Phase Preclinical
Structure Type MOL
InChI Key NRJUQUSGPLPHNI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.9
MW (Da)
3.81
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26ClNO2
MW 311.85
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.27

Data from ChEMBL 36 via Core Engine