COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK794425
Chemical Name: 2-(4-benzylpiperazin-1-yl)-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)/C(=O)N1CCc1ccccc1

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Molecular Weight: 567.74
Empirical Formula: C31H29N5O2S2

Physical State: Dry powder
Available Amount: 506 mg

Lipinsky:
logP: 3.445
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 116
Number of rings: 6

     

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