COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK782129
Chemical Name: 2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: CCNc1nc(NCC)nc2n1c(SCC(=O)c1cccc(c1)[N+](=O)[O-])nn2

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Molecular Weight: 402.44
Empirical Formula: C16H18N8O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.183
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 168
Number of rings: 3

     

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