COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904644
Chemical Name: (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c(nc2n(c1=O)cccc2)N1CCCCCC1)/c1nc2c(n1C)cccc2

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Molecular Weight: 424.51
Empirical Formula: C25H24N6O

Physical State: Dry powder
Available Amount: 152 mg

Lipinsky:
logP: 3.263
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 77
Number of rings: 5

     

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