COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL403627
Chemical Name: [(7E)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl}methanone
Smiles: CC(c1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])CCC/C/2=C\c1ccc(cc1)[N+](=O)[O-])C

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Molecular Weight: 709.68
Empirical Formula: C37H30F3N7O5

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 7.186
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 154
Number of rings: 7

     

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