COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK423479
Chemical Name: benzene-1,3,5-triyltris{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone}
Smiles: O=C(c1cc(cc(c1)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 816.91
Empirical Formula: C45H48N6O9

Physical State: Dry powder
Available Amount: 915 mg

Lipinsky:
logP: 1.639
Rotatable bonds: 3
H-donors: 0
H-acceptors: 9
PSA: 126
Number of rings: 10

     

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