COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001849
Chemical Name: (3E)-5-(4-methylphenyl)-3-(4-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrobenzylidene)furan-2(3H)-one
Smiles: Cc1ccc(cc1)C1=C/C(=C\c2ccc(c(c2)[N+](=O)[O-])Sc2nnc(n2C)c2cccnc2)/C(=O)O1

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Molecular Weight: 497.53
Empirical Formula: C26H19N5O4S

Physical State: Dry powder
Available Amount: 133 mg

Lipinsky:
logP: 6.035
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 141
Number of rings: 5

     

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