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Compound Detail

CHEMBL1198671

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C=CC[N+]1(C)CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=CC3[C@H]1C5

Basic Information

ChEMBL ID CHEMBL1198671
Phase Preclinical
Structure Type MOL
InChI Key HJDWPCLBBHHTIG-NNJWZEOZSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
1.90
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24NO3+
MW 326.42
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 2.32

Data from ChEMBL 36 via Core Engine