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Compound Detail

CHEMBL1181336

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C[n+]1ccc(/C=C/c2ccc(OCc3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181336
Phase Preclinical
Structure Type MOL
InChI Key VTESRMQFSVDDTO-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
4.26
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20NO+
MW 302.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine