COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675541
Chemical Name: 2,2'-{benzene-1,4-diylbis[(2-oxoethane-2,1-diyl)sulfanediyl]}bis(6-butylpyridine-3-carbonitrile)
Smiles: CCCCc1ccc(c(n1)SCC(=O)c1ccc(cc1)C(=O)CSc1nc(CCCC)ccc1C#N)C#N

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Molecular Weight: 542.73
Empirical Formula: C30H30N4O2S2

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 7.653
Rotatable bonds: 12
H-donors: 0
H-acceptors: 2
PSA: 158
Number of rings: 3

     

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