COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757349
Chemical Name: 5-acetyl-4-(4-chlorophenyl)-6-methyl-2-[(3-nitrobenzyl)sulfanyl]-1,4-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCc2cccc(c2)[N+](=O)[O-])NC(=C(C1c1ccc(cc1)Cl)C(=O)C)C

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Molecular Weight: 439.92
Empirical Formula: C22H18ClN3O3S

Physical State: Dry powder
Available Amount: 46 mg

Lipinsky:
logP: 4.358
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 124
Number of rings: 3

     

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