COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK777123
Chemical Name: N'-{(1R,2R,4Z,5S)-2-[4-(3,5-dimethylphenyl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]oct-4-ylidene}-2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetohydrazide(non-preferredname)
Smiles: O=C(Cn1cc(nc1C)[N+](=O)[O-])N/N=C\1/C[C@H]([C@H]2O[C@@H]1OC2)n1nnn(c1=S)c1cc(C)cc(c1)C

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Molecular Weight: 513.54
Empirical Formula: C21H23N9O5S

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 0.867
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 186
Number of rings: 5

     

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