COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007052
Chemical Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]{1-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]piperidin-4-yl}methanone
Smiles: C/C(=C\c1ccccc1)/CN1CCC(CC1)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Saltdata: C2H2O4
Molecular Weight: 461.6
Empirical Formula: C28H35N3O3

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 4.313
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 45
Number of rings: 5

     

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