COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK010526
Chemical Name: [4-(4-hydroxy-3,5-dimethoxybenzyl)piperazin-1-yl](thiophen-2-yl)methanone
Smiles: COc1cc(CN2CCN(CC2)C(=O)c2cccs2)cc(c1O)OC

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Saltdata: C2H2O4
Molecular Weight: 362.45
Empirical Formula: C18H22N2O4S

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 0.76
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 90
Number of rings: 3

     

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