COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL286776
Chemical Name: [(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](3,5-dinitrophenyl)methanone
Smiles: Clc1ccc(cc1)C1C2CCC/C(=C\c3ccc(cc3)Cl)/C2=NN1C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 551.39
Empirical Formula: C27H20Cl2N4O5

Physical State: Dry powder
Available Amount: 37 mg

Lipinsky:
logP: 6.337
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 124
Number of rings: 5

     

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