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Compound Detail

CHEMBL1963414

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COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)NC2CC2)C[C@H]1c1ccccc1

Basic Information

ChEMBL ID CHEMBL1963414
Phase Preclinical
Structure Type MOL
InChI Key DNWDXVUEVAPELT-SFTDATJTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

515.5
MW (Da)
3.51
ALogP
7
HBA
2
HBD
97.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28F3N7O2
MW 515.54
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.64

Data from ChEMBL 36 via Core Engine