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Compound Detail

CHEMBL4277173

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C[C@@H](Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-c2cccc(C(C)(F)F)n2)n1)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL4277173
Phase Preclinical
Structure Type MOL
InChI Key WLTAGDRBXBZXAG-GFCCVEGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

490.4
MW (Da)
5.10
ALogP
8
HBA
2
HBD
112.3
PSA (Ų)
0.44
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 C22H19F5N8
MW 490.44
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine