COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028503
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]prop-2-en-1-one
Smiles: O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 394.43
Empirical Formula: C22H22N2O5

Physical State: Dry powder
Available Amount: 474 mg

Lipinsky:
logP: 3.149
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 60
Number of rings: 5

     

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