COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK771896
Chemical Name: 6-benzyl-1-(2-nitrophenyl)-3a,4,4a,7a,8,8a-hexahydro-4,8-methano[1,2,3]triazolo[4,5-f]isoindole-5,7(1H,6H)-dione
Smiles: O=C1N(Cc2ccccc2)C(=O)C2C1C1CC2C2C1N=NN2c1ccccc1[N+](=O)[O-]

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Molecular Weight: 417.42
Empirical Formula: C22H19N5O4

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 1.799
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 6

     

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