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Compound Detail

CHEMBL1472795

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Oc1ccc(COCc2ccccc2)c2cccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1472795
Phase Preclinical
Structure Type MOL
InChI Key CXIAXDRSZAWSDB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
3.66
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO2
MW 265.31
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.42

Data from ChEMBL 36 via Core Engine