EGF-02644 Red

CC(C)C(CNC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1)NC(=O)c1ccc(Br)o1
0.387
Platform Score
2D Structure
EGF-02644
C26H25BrN4O4 | Exact mass: 536.1059
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
106
TPSA
537
MW
2
HBD
4.0
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 Weight537.40 Da
TPSA106.2 A^2
HBD2
HBA6
SlogP3.98
Fsp30.231
Rotatable Bonds8
Rings4 (4 aromatic)
QED0.354
SA Score2.96 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC26H25BrN4O4
Exact Mass536.1059
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.