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Compound Detail

CHEMBL4804038

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NC1=NC(c2ccccc2)N(CCCOc2cc(Cl)c(Cl)cc2Cl)C(N)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4804038
Phase Preclinical
Structure Type MOL
InChI Key GTXQXLXTQDMHID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.7
MW (Da)
4.06
ALogP
6
HBA
2
HBD
89.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18Cl3N5O
MW 426.74
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine