COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886088
Chemical Name: N-(1,3-benzodioxol-5-yl)-2-{[3-cyano-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc3c(c2)OCO3)NC2=C(C1c1ccc(o1)C)C(=O)CC(C2)(C)C

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Molecular Weight: 491.57
Empirical Formula: C26H25N3O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.235
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 138
Number of rings: 5

     

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