EGF-02505 Red

N=c1[nH]c(=O)c2[nH]c(SCC(=O)N3CCN(c4cccc(Cl)c4)CC3)nc2[nH]1
0.382
Platform Score
2D Structure
EGF-02505
C17H18ClN7O2S | Exact mass: 419.0931
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
125
TPSA
420
MW
4
HBD
1.1
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 Weight419.90 Da
TPSA124.7 A^2
HBD4
HBA6
SlogP1.15
Fsp30.294
Rotatable Bonds4
Rings4 (3 aromatic)
QED0.472
SA Score2.84 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC17H18ClN7O2S
Exact Mass419.0931
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.