COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK922116
Chemical Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone
Smiles: O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CSc1ncnc2c1[nH]cn2

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Molecular Weight: 412.47
Empirical Formula: C19H20N6O3S

Physical State: Dry powder
Available Amount: 76 mg

Lipinsky:
logP: 1.477
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 121
Number of rings: 5

     

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