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Compound Detail

CHEMBL1851720

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C#CCOc1ccc(-c2ccc(=N)n(CCCC(=O)O)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1851720
Phase Preclinical
Structure Type MOL
InChI Key QNCOWGRTHTWXQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
1.91
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O3
MW 311.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.27

Data from ChEMBL 36 via Core Engine