EGF-02277 Red

CN(Cc1cscn1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(Cl)c(Cl)c1
0.377
Platform Score
2D Structure
EGF-02277
C23H22Cl2N6O2S2 | Exact mass: 548.0623
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
86
TPSA
550
MW
0
HBD
4.3
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 Weight549.50 Da
TPSA85.9 A^2
HBD0
HBA9
SlogP4.28
Fsp30.261
Rotatable Bonds9
Rings4 (4 aromatic)
QED0.229
SA Score3.00 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H22Cl2N6O2S2
Exact Mass548.0623
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.