COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706785
Chemical Name: (2E)-3-[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCN(CC1)c1ccccc1)/S(=O)(=O)c1ccccc1

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Molecular Weight: 511.6
Empirical Formula: C28H25N5O3S

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 2.608
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 105
Number of rings: 5

     

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