COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886007
Chemical Name: ethyl5-cyano-6-{[2-(diphenylamino)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)C1=C(NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1

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Molecular Weight: 585.73
Empirical Formula: C36H31N3O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.091
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 5

     

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