COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK774106
Chemical Name: (2E)-2-{(1R,2R,5S)-2-[4-(3-chlorophenyl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]oct-4-ylidene}hydrazinecarbothioamide(non-preferredname)
Smiles: NC(=S)N/N=C/1\C[C@H]([C@H]2O[C@@H]1OC2)n1nnn(c1=S)c1cccc(c1)Cl

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Molecular Weight: 411.9
Empirical Formula: C14H14ClN7O2S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.401
Rotatable bonds: 0
H-donors: 3
H-acceptors: 2
PSA: 164
Number of rings: 4

     

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