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Compound Detail

CHEMBL417900

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NCCC[C@H](NC(=O)[C@@H](N)CCC/N=C(/N)N[N+](=O)[O-])C(N)=O

Basic Information

ChEMBL ID CHEMBL417900
Phase Preclinical
Structure Type MOL
InChI Key HKTCWNTUEVRSHC-YUMQZZPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
-3.10
ALogP
7
HBA
6
HBD
217.8
PSA (Ų)
0.07
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H24N8O4
MW 332.37
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.44

Data from ChEMBL 36 via Core Engine