COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK845082
Chemical Name: ethyl4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)/C=C(/c1nc2c(s1)cccc2)\C#N

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Molecular Weight: 342.42
Empirical Formula: C17H18N4O2S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 2.772
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 97
Number of rings: 3

     

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