COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK720510
Chemical Name: 1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: O=c1c2c3CCCCc3sc2n2c(n1CCc1ccccc1)nnc2SCc1ccc2c(c1)OCO2

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Molecular Weight: 516.64
Empirical Formula: C27H24N4O3S2

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 7.543
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 123
Number of rings: 7

     

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