COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK823855
Chemical Name: dimethyl4,4'-{piperazine-1,4-diylbis[(1E)-2-cyano-3-oxoprop-1-ene-3,1-diyl]}dibenzoate
Smiles: COC(=O)c1ccc(cc1)/C=C(/C(=O)N1CCN(CC1)C(=O)/C(=C/c1ccc(cc1)C(=O)OC)/C#N)\C#N

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Molecular Weight: 512.52
Empirical Formula: C28H24N4O6

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 2.301
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 140
Number of rings: 3

     

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