COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK646262
Chemical Name: 4-(1,3-benzodioxol-5-yl)-6-hydroxy-2-[(3-methylbutyl)sulfanyl]-4,5-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCCC(C)C)N=C(CC1c1ccc2c(c1)OCO2)O

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Molecular Weight: 344.43
Empirical Formula: C18H20N2O3S

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 3.977
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 3

     

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