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Compound Detail

CHEMBL5222827

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CCOCCCNC(CO)c1cc(Br)c(N)c(C#N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222827
Phase Preclinical
Structure Type MOL
InChI Key SZIKYIZBOKVZBP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.2
MW (Da)
1.95
ALogP
5
HBA
3
HBD
91.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20BrN3O2
MW 342.24
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.74

Data from ChEMBL 36 via Core Engine