COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL065007
Chemical Name: 2-phenylethyl(1-{[4-(2,4-dichlorophenoxy)butanoyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Smiles: O=C(NC(=S)N1CCNC(=O)C1CC(=O)OCCc1ccccc1)CCCOc1ccc(cc1Cl)Cl

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Molecular Weight: 552.48
Empirical Formula: C25H27Cl2N3O5S

Physical State: Dry powder
Available Amount: 204 mg

Lipinsky:
logP: 2.864
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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