COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK678319
Chemical Name: 2-{[5-acetyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(2,6-dibromo-4-nitrophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(Br)cc(cc2Br)[N+](=O)[O-])NC(=C(C1c1ccco1)C(=O)C)C

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Molecular Weight: 596.26
Empirical Formula: C21H16Br2N4O5S

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 3.384
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 166
Number of rings: 3

     

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