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Compound Detail

CHEMBL3991319

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C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncc(F)cc32)C(=O)N1CC(F)(F)F

Basic Information

ChEMBL ID CHEMBL3991319
Phase Preclinical
Structure Type MOL
InChI Key MGPZDZUWVWCXMD-BVXCJVEYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

621.5
MW (Da)
4.09
ALogP
5
HBA
2
HBD
104.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H22F7N5O3
MW 621.51
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine