COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK111010
Chemical Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][1-(4-hydroxy-3,5-dimethoxybenzyl)piperidin-4-yl]methanone
Smiles: COc1cc(CN2CCC(CC2)C(=O)N2CCN(CC2)Cc2ccc3c(c2)OCO3)cc(c1O)OC

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Saltdata: C2H2O4
Molecular Weight: 497.59
Empirical Formula: C27H35N3O6

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 1.596
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 83
Number of rings: 5

     

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