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Compound Detail

CHEMBL5222497

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C[N+]1(C)CC[C@H](Oc2ccc(/C=C/c3ccccc3)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222497
Phase Preclinical
Structure Type MOL
InChI Key ACPHUHSYZGYUCK-IBDYFIJFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
4.08
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24NO+
MW 294.42
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.36

Data from ChEMBL 36 via Core Engine