COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK572904
Chemical Name: 3-{(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one
Smiles: CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C

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Molecular Weight: 449.51
Empirical Formula: C24H27N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.007
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 5

     

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