COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL064984
Chemical Name: 2-phenylethyl4-({[2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-yl]carbonothioyl}amino)-4-oxobutanoate
Smiles: COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCc1ccccc1

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Molecular Weight: 435.5
Empirical Formula: C20H25N3O6S

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: -0.359
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 146
Number of rings: 2

     

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