COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK781004
Chemical Name: (2Z)-2-[(1R,2R,5S)-2-{4-ethyl-3-[(5-phenyl-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]hydrazinecarbothioamide(non-preferredname)
Smiles: CCn1c(Cn2nnc(n2)c2ccccc2)nn(c1=S)[C@@H]1C/C(=N/NC(=S)N)/[C@@H]2O[C@H]1CO2

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Molecular Weight: 486.58
Empirical Formula: C19H22N10O2S2

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: -0.172
Rotatable bonds: 3
H-donors: 3
H-acceptors: 2
PSA: 195
Number of rings: 5

     

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