COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK080882
Chemical Name: 2-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-oxoethyldiethylcarbamodithioate
Smiles: CCN(C(=S)SCC(=O)N1c2ccccc2C(CC1(C)C)(C)c1ccc(cc1)Cl)CC

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Molecular Weight: 475.12
Empirical Formula: C25H31ClN2OS2

Physical State: Dry powder
Available Amount: 453 mg

Lipinsky:
logP: 8.044
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 80
Number of rings: 3

     

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