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Compound Detail

CHEMBL4597626

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Nc1nc(N)c(-c2cccc(Cl)c2)c(CCCOc2cccc(OCC(=O)O)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597626
Phase Preclinical
Structure Type MOL
InChI Key ABYWMEUIIHLYOL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.9
MW (Da)
3.44
ALogP
7
HBA
3
HBD
133.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN4O4
MW 428.88
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine