COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886039
Chemical Name: diethyl6,6'-(methanediyldisulfanediyl)bis[4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate]
Smiles: CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCSC1=C(C#N)C(C(=C(N1)c1ccccc1)C(=O)OCC)c1ccccc1Cl)c1ccccc1

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Molecular Weight: 805.8
Empirical Formula: C43H34Cl2N4O4S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 10.428
Rotatable bonds: 12
H-donors: 2
H-acceptors: 4
PSA: 174
Number of rings: 6

     

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