COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889199
Chemical Name: [(7E)-7-(3-nitrobenzylidene)-3-(3-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](2-phenylquinolin-4-yl)methanone
Smiles: O=C(c1cc(nc2c1cccc2)c1ccccc1)N1N=C2C(C1c1cccc(c1)[N+](=O)[O-])CCC/C/2=C\c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 609.64
Empirical Formula: C36H27N5O5

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 7.001
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 137
Number of rings: 7

     

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