COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK453901
Chemical Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-bromo-5-propylthiophen-2-yl)methanone
Smiles: CCCc1sc(cc1Br)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Saltdata: HCl
Molecular Weight: 451.38
Empirical Formula: C20H23BrN2O3S

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 4.516
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 70
Number of rings: 4

     

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