COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527226
Chemical Name: 6,6'-(butane-1,4-diyldisulfanediyl)bis[4-(4-butoxyphenyl)-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide]
Smiles: CCCCOc1ccc(cc1)c1c(C#N)c(SCCCCSc2nc(C)c(c(c2C#N)c2ccc(cc2)OCCCC)C(=O)Nc2ccccc2)nc(c1C(=O)Nc1ccccc1)C

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Molecular Weight: 889.15
Empirical Formula: C52H52N6O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 13.407
Rotatable bonds: 15
H-donors: 2
H-acceptors: 4
PSA: 200
Number of rings: 6

     

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