COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK017142
Chemical Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone
Smiles: O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CSc1nc2c([nH]1)cccc2

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Saltdata: HCl
Molecular Weight: 410.5
Empirical Formula: C21H22N4O3S

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 3.418
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 95
Number of rings: 5

     

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