COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL273380
Chemical Name: 2-{[5,7-bis(propan-2-ylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: CC(Nc1nc(NC(C)C)nc2n1c(SCC(=O)c1cccc(c1)[N+](=O)[O-])nn2)C

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Molecular Weight: 430.49
Empirical Formula: C18H22N8O3S

Available Amount: 0 mg

Lipinsky:
logP: 2.878
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 168
Number of rings: 3

     

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