COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK758096
Chemical Name: 5-acetyl-6-methyl-4-(2-methylpropyl)-2-[(3-nitrobenzyl)sulfanyl]-1,4-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCc2cccc(c2)[N+](=O)[O-])NC(=C(C1CC(C)C)C(=O)C)C

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Molecular Weight: 385.49
Empirical Formula: C20H23N3O3S

Physical State: Dry powder
Available Amount: 79 mg

Lipinsky:
logP: 3.61
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 124
Number of rings: 2

     

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