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Compound Detail

CHEMBL33774

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N#Cc1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL33774
Phase Preclinical
Structure Type MOL
InChI Key YXTFOFXDMVBSSI-WGOQTCKBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.3
MW (Da)
4.08
ALogP
3
HBA
0
HBD
53.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20Cl2N4O+2
MW 427.34
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine