COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK997931
Chemical Name: 6-(4-benzylpiperazin-1-yl)-5-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: CCCCCCN1C(=S)S/C(=C\c2c(N3CCN(CC3)Cc3ccccc3)n(C)c(=O)c(c2C)C#N)/C1=O

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Molecular Weight: 549.76
Empirical Formula: C29H35N5O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.759
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 128
Number of rings: 4

     

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