COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889123
Chemical Name: [(7E)-7-(3-nitrobenzylidene)-3-(3-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](phenyl)methanone
Smiles: O=C(N1N=C2C(C1c1cccc(c1)[N+](=O)[O-])CCC/C/2=C\c1cccc(c1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 482.5
Empirical Formula: C27H22N4O5

Physical State: Dry powder
Available Amount: 147 mg

Lipinsky:
logP: 5.088
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 124
Number of rings: 5

     

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