COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK664884
Chemical Name: 3,3'-[1,3-benzodioxole-5,6-diylbis(methanediylsulfanediyl)]bis[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole]
Smiles: Cn1c(SCc2cc3OCOc3cc2CSc2nnc(n2C)c2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 618.65
Empirical Formula: C27H22N8O6S2

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 7.017
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 222
Number of rings: 6

     

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