COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK733642
Chemical Name: 1-[3'-(4-nitrophenyl)-3,3-diphenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Smiles: CC(=O)C1=NN(C2(S1)SC(c1c2cccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 523.64
Empirical Formula: C29H21N3O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.113
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 129
Number of rings: 6

     

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