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Compound Detail

CHEMBL5498911

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COCCOCCn1c[n+](C)c2c1C(=O)c1cc3ccccc3cc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498911
Phase Preclinical
Structure Type MOL
InChI Key HFMNZBRQQWRPPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
1.90
ALogP
5
HBA
0
HBD
61.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N2O4+
MW 365.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine