EGF-02635 Red

N#CCC1(n2cc(C(N)=O)c(=Nc3cccc(N4CCOCC4)c3)[nH]2)CN(C(=O)c2ccccc2)C1
0.393
Platform Score
2D Structure
EGF-02635
C26H27N7O3 | Exact mass: 485.2175
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
133
TPSA
486
MW
2
HBD
1.8
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 Weight485.50 Da
TPSA132.7 A^2
HBD2
HBA7
SlogP1.75
Fsp30.308
Rotatable Bonds6
Rings5 (3 aromatic)
QED0.549
SA Score3.28 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC26H27N7O3
Exact Mass485.2175
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.