EGF-00410 Yellow

CC1=NCC(C)(c2cc(N=c3[nH]cnc4cnc(N5CCCCC5)nc34)cc(Cl)n2)N=C1N
0.490
Platform Score
2D Structure
EGF-00410
C22H25ClN10 | Exact mass: 464.1952
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
134
TPSA
465
MW
2
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 Weight465.00 Da
TPSA133.7 A^2
HBD2
HBA9
SlogP2.67
Fsp30.409
Rotatable Bonds3
Rings5 (3 aromatic)
QED0.572
SA Score4.31 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC22H25ClN10
Exact Mass464.1952
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.