COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001582
Chemical Name: diethyl6,6'-(butane-1,4-diyldisulfanediyl)bis(5-cyano-4-cyclohexyl-2-methyl-1,4-dihydropyridine-3-carboxylate)
Smiles: CCOC(=O)C1=C(C)NC(=C(C1C1CCCCC1)C#N)SCCCCSC1=C(C#N)C(C(=C(N1)C)C(=O)OCC)C1CCCCC1

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Molecular Weight: 666.95
Empirical Formula: C36H50N4O4S2

Physical State: Dry powder
Available Amount: 322 mg

Lipinsky:
logP: 6.889
Rotatable bonds: 15
H-donors: 2
H-acceptors: 4
PSA: 174
Number of rings: 4

     

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