COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044915
Chemical Name: 2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)N=C(CC1c1ccc2c(c1)OCO2)O

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Molecular Weight: 486.35
Empirical Formula: C21H16BrN3O4S

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 4.716
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 129
Number of rings: 4

     

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