COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL276567
Chemical Name: 6-(1,3-benzodioxol-5-ylamino)-3-[(3,4-dimethoxybenzyl)sulfanyl]-4-(prop-2-en-1-yl)-1,2,4-triazin-5(4H)-one
Smiles: C=CCn1c(nnc(c1=O)Nc1ccc2c(c1)OCO2)SCc1ccc(c(c1)OC)OC

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Molecular Weight: 454.51
Empirical Formula: C22H22N4O5S

Physical State: Dry powder
Available Amount: 11 mg

Lipinsky:
logP: 2.992
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 119
Number of rings: 4

     

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