COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK679312
Chemical Name: 3-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Smiles: CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(C)[n-]n2[n+]1nc(c2[N+](=O)[O-])C

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Molecular Weight: 432.46
Empirical Formula: C18H20N6O5S

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 150
Number of rings: 4

     

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