COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL131427
Chemical Name: dimethyl2-({[2-(pyridin-3-yl)piperidin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=S)N1CCCCC1c1cccnc1)C(=O)OC

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Molecular Weight: 413.5
Empirical Formula: C21H23N3O4S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 3.844
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 112
Number of rings: 3

     

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