EGF-03190 Red

COc1cc(N2CCN(C)CC2)ccc1N=c1nc2c(c[nH]1)cc(S(=O)(=O)c1ccc(Cl)cc1)c(=O)n2C
0.392
Platform Score
2D Structure
EGF-03190
C26H27ClN6O4S | Exact mass: 554.1503
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
113
TPSA
555
MW
1
HBD
2.7
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 Weight555.10 Da
TPSA112.9 A^2
HBD1
HBA9
SlogP2.74
Fsp30.269
Rotatable Bonds5
Rings5 (4 aromatic)
QED0.403
SA Score3.14 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC26H27ClN6O4S
Exact Mass554.1503
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.