COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK686597
Chemical Name: (2Z)-2-{(2Z)-[(1S,2S,5R)-2-(4-ethyl-3-{[5-(4-methylphenyl)-2H-tetrazol-2-yl]methyl}-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]oct-4-ylidene]hydrazinylidene}-1,3-thiazolidin-4-
Smiles: CCn1c(Cn2nnc(n2)c2ccc(cc2)C)nn(c1=S)[C@H]1C/C(=N/N=C/2\SCC(=O)N2)/[C@H]2O[C@@H]1CO2

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Molecular Weight: 540.63
Empirical Formula: C22H24N10O3S2

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 0.98
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 192
Number of rings: 6

     

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