COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL071349
Chemical Name: 2-(4-benzylpiperazin-1-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)Cc2ccccc2)/C1=O

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Molecular Weight: 561.77
Empirical Formula: C30H35N5O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.5
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 116
Number of rings: 5

     

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