COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK640823
Chemical Name: 1-[4-(methylsulfonyl)piperazin-1-yl]-4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}butane-1,4-dione
Smiles: O=C(N1CCN(CC1)C/C=C/c1ccccc1)CCC(=O)N1CCN(CC1)S(=O)(=O)C

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Molecular Weight: 448.59
Empirical Formula: C22H32N4O4S

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 1.059
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 89
Number of rings: 3

     

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