COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886632
Chemical Name: N-(4-acetylphenyl)-2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C(=O)C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2

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Molecular Weight: 501.56
Empirical Formula: C27H23N3O5S

Physical State: Dry powder
Available Amount: 111 mg

Lipinsky:
logP: 3.393
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 142
Number of rings: 5

     

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