COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK829106
Chemical Name: ethyl4-{(E)-2-[(4-chlorophenyl)sulfonyl]-2-cyanoethenyl}piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)/C=C(/S(=O)(=O)c1ccc(cc1)Cl)\C#N

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Molecular Weight: 383.86
Empirical Formula: C16H18ClN3O4S

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 1.824
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 99
Number of rings: 2

     

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