COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889068
Chemical Name: (7E)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole
Smiles: [O-][N+](=O)c1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)[N+](=O)[O-])c1scc(n1)c1ccc(cc1)c1ccccc1

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Molecular Weight: 613.7
Empirical Formula: C35H27N5O4S

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 7.934
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 148
Number of rings: 7

     

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