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Compound Detail

CHEMBL3949197

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COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3949197
Phase Preclinical
Structure Type MOL
InChI Key OHKTZBLFFFQEMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.8
MW (Da)
3.06
ALogP
7
HBA
3
HBD
105.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClFN4O4
MW 392.77
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.50

Data from ChEMBL 36 via Core Engine