COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538206
Chemical Name: 4-(1,3-benzodioxol-5-yl)-2-(ethylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc2c(c1)OCO2

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Molecular Weight: 354.43
Empirical Formula: C19H18N2O3S

Physical State: Dry powder
Available Amount: 333 mg

Lipinsky:
logP: 2.295
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 96
Number of rings: 4

     

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