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Compound Detail

CHEMBL5222080

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C[N+]1(CCOc2ccc(/C=C/c3ccccc3)cc2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222080
Phase Preclinical
Structure Type MOL
InChI Key WESGVHHRAFNWER-MDZDMXLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
4.48
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26NO+
MW 308.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine