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Compound Detail

CHEMBL3732872

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Fc1cccc(F)c1CNc1ccc(Oc2cc(C(F)(F)F)ccc2C(F)(F)F)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3732872
Phase Preclinical
Structure Type MOL
InChI Key PEUIPSNSABAKJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

448.3
MW (Da)
6.80
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12F8N2O
MW 448.31
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.39

Data from ChEMBL 36 via Core Engine