EGF-02850 Red

C=CCN(C(=O)CSc1nc2ccc(C)cc2nc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
0.391
Platform Score
2D Structure
EGF-02850
C23H28N6O3S | Exact mass: 468.1944
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
127
TPSA
469
MW
2
HBD
2.8
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 Weight468.60 Da
TPSA127.0 A^2
HBD2
HBA8
SlogP2.79
Fsp30.348
Rotatable Bonds9
Rings3 (3 aromatic)
QED0.365
SA Score2.86 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H28N6O3S
Exact Mass468.1944
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.