COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886418
Chemical Name: methyl{[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc2c(c1)OCO2

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Molecular Weight: 398.44
Empirical Formula: C20H18N2O5S

Physical State: Dry powder
Available Amount: 133 mg

Lipinsky:
logP: 2.331
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 122
Number of rings: 4

     

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