COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK682826
Chemical Name: (2E)-2-{(1R,2R,5S)-2-[4-amino-3-(3,5-diphenyl-1H-pyrazol-1-yl)-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: NC(=S)N/N=C/1\C[C@H]([C@H]2O[C@@H]1OC2)n1nc(n(c1=S)N)n1nc(cc1c1ccccc1)c1ccccc1

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Molecular Weight: 533.64
Empirical Formula: C24H23N9O2S2

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 1.795
Rotatable bonds: 0
H-donors: 5
H-acceptors: 2
PSA: 195
Number of rings: 6

     

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