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Compound Detail

CHEMBL4117223

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COc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117223
Phase Preclinical
Structure Type MOL
InChI Key AXRFBGXHWGGUEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
6.22
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17NO
MW 335.41
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine