EGF-00962 Yellow

O=c1[nH]c2c(Oc3ccc(Cl)c(Cl)c3)ncnc2n1CCN1CCN(c2ccccc2)CC1
0.490
Platform Score
2D Structure
EGF-00962
C23H22Cl2N6O2 | Exact mass: 484.1181
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
79
TPSA
485
MW
1
HBD
4.0
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 Weight485.40 Da
TPSA79.3 A^2
HBD1
HBA7
SlogP4.04
Fsp30.261
Rotatable Bonds6
Rings5 (4 aromatic)
QED0.444
SA Score2.50 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H22Cl2N6O2
Exact Mass484.1181
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.