COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK133920
Chemical Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][1-(3-bromo-4-hydroxy-5-methoxybenzyl)piperidin-4-yl]methanone
Smiles: COc1cc(CN2CCC(CC2)C(=O)N2CCN(CC2)Cc2ccc3c(c2)OCO3)cc(c1O)Br

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Saltdata: C2H2O4
Molecular Weight: 546.46
Empirical Formula: C26H32BrN3O5

Physical State: Dry powder
Available Amount: 240 mg

Lipinsky:
logP: 3.12
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 74
Number of rings: 5

     

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