COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK846721
Chemical Name: benzyl{[3-cyano-6-hydroxy-4-(4-hydroxyphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: N#CC1=C(SCC(=O)OCc2ccccc2)N=C(CC1c1ccc(cc1)O)O

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Molecular Weight: 394.45
Empirical Formula: C21H18N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.853
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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