COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK589902
Chemical Name: (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCCCCC1)/S(=O)(=O)c1ccc(cc1)C

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Molecular Weight: 462.57
Empirical Formula: C25H26N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.219
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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