COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886331
Chemical Name: 5-acetyl-4-(2-chlorophenyl)-6-methyl-2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2cccc(c2)[N+](=O)[O-])NC(=C(C1c1ccccc1Cl)C(=O)C)C

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Molecular Weight: 467.93
Empirical Formula: C23H18ClN3O4S

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 4.431
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 141
Number of rings: 3

     

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