COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881790
Chemical Name: (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Smiles: N#C/C(=C\c1c(nc2n(c1=O)cccc2)N1CCN(CC1)c1ccccc1)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 518.6
Empirical Formula: C26H26N6O4S

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: -0.978
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 134
Number of rings: 5

     

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