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Compound Detail

CHEMBL1852835

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COc1cccc(COc2ccc(-c3ccc(=N)n(CCCC(=O)O)n3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1852835
Phase Preclinical
Structure Type MOL
InChI Key VPZOLJKOURRVNO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
3.48
ALogP
6
HBA
2
HBD
97.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O4
MW 393.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.95

Data from ChEMBL 36 via Core Engine