COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009973
Chemical Name: dimethyl5-({[3-(2-oxopyrrolidin-1-yl)propyl]carbamothioyl}amino)benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=S)NCCCN2CCCC2=O)cc(c1)C(=O)OC

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Molecular Weight: 393.46
Empirical Formula: C18H23N3O5S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 1.729
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 129
Number of rings: 2

     

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