EGF-02914 Red

Cc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1N=c1[nH]cnc2cnc(N3CCCN(C)CC3)nc12
0.369
Platform Score
2D Structure
EGF-02914
C27H26F4N8O | Exact mass: 554.2166
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
102
TPSA
555
MW
2
HBD
4.5
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 Weight554.60 Da
TPSA102.4 A^2
HBD2
HBA7
SlogP4.45
Fsp30.296
Rotatable Bonds4
Rings5 (4 aromatic)
QED0.362
SA Score3.13 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC27H26F4N8O
Exact Mass554.2166
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.