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Compound Detail

CHEMBL1963453

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COc1cc2nc(Cl)nc(NCCCCn3ccnc3[N+](=O)[O-])c2cc1OC

Basic Information

ChEMBL ID CHEMBL1963453
Phase Preclinical
Structure Type MOL
InChI Key OBVWNQOOPRWIKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.8
MW (Da)
3.30
ALogP
9
HBA
1
HBD
117.2
PSA (Ų)
0.25
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19ClN6O4
MW 406.83
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.01

Data from ChEMBL 36 via Core Engine