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Compound Detail

CHEMBL5221484

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CCOc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5221484
Phase Preclinical
Structure Type MOL
InChI Key PYJLRBACHCIJNJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.9
MW (Da)
4.12
ALogP
5
HBA
1
HBD
71.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN2O4
MW 414.89
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine