COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL173615
Chemical Name: 1,4-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butane-1,4-dione
Smiles: O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CCC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 522.6
Empirical Formula: C28H34N4O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.127
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 84
Number of rings: 6

     

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