EGF-02177 Red

CC(C)(Nc1cccc(C(F)(F)F)c1)C(=O)N(Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
0.373
Platform Score
2D Structure
EGF-02177
C29H28F3N5O3 | Exact mass: 551.2144
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
113
TPSA
552
MW
3
HBD
4.6
SlogP
Display Controls
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EGFR Docking Result
N/A
kcal/mol (molecular docking)
Docking Rank#- of 1,249
Consensus Score-
ReceptorEGFR (PDB: 1M17)
Selective No
Selectivity Profile
ADMET Profile
BBB (BOILED-Egg) BBB- (non-penetrant)
ADMET Status Pass (no hard fails)
CNS Drug-Likeness
Physicochemical Properties
Molecular Weight551.60 Da
TPSA113.2 A^2
HBD3
HBA6
SlogP4.61
Fsp30.207
Rotatable Bonds8
Rings4 (4 aromatic)
QED0.296
SA Score2.70 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC29H28F3N5O3
Exact Mass551.2144
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes
Retrosynthetic Analysis

Retrosynthetic analysis not yet run for this compound.

About

Retrosynthetic analysis decomposes the target molecule into purchasable building blocks using learned reaction templates.

A feasible route means the molecule can theoretically be synthesized from commercially available starting materials.

Min steps indicates the shortest synthesis route found.