COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL010876
Chemical Name: 1-(4-benzylpiperazin-1-yl)-2-{(1E)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}ethanone
Smiles: O=C(N1CCN(CC1)Cc1ccccc1)CC1=C(C)/C(=C\c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2

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Molecular Weight: 514.66
Empirical Formula: C31H31FN2O2S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 5.032
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 59
Number of rings: 5

     

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