COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK615522
Chemical Name: (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Smiles: CCN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C(/C(=O)NC1CCS(=O)(=O)C1)\C#N

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Molecular Weight: 484.58
Empirical Formula: C23H28N6O4S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: -1.044
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 134
Number of rings: 4

     

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